data_5tn2_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5tn2 _Structure_validation_residue.Date_analyzed 2017-10-20 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 ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.638 0.732 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.413 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 10.2 t0 -66.7 138.98 57.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.107 1.363 . . . . 0.0 111.519 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 t -57.08 -29.29 63.34 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.013 -1.054 . . . . 0.0 112.482 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.43 -29.43 69.94 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.425 1.49 . . . . 0.0 114.952 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.413 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.1 m95 -99.68 -31.82 11.37 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.168 0.895 . . . . 0.0 112.114 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -53.48 -47.63 69.62 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.193 1.397 . . . . 0.0 109.628 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -33.01 74.75 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 118.52 -0.752 . . . . 0.0 112.657 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 mt -67.77 -46.21 72.68 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.586 1.154 . . . . 0.0 111.802 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.4 p -69.59 -42.74 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -58.82 -42.67 89.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.56 1.144 . . . . 0.0 111.583 171.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.37 -42.75 87.68 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.453 1.101 . . . . 0.0 112.842 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.42 99.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.752 0.706 . . . . 0.0 110.986 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -63.0 -42.36 99.83 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.4 p -77.73 -29.66 51.26 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -73.2 -24.77 60.56 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.485 0.714 . . . . 0.0 112.358 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.96 25.12 56.61 Favored Glycine 0 CA--C 1.536 1.374 0 O-C-N 121.38 -0.825 . . . . 0.0 112.666 -170.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.2 t -62.52 147.08 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.537 1.535 . . . . 0.0 110.516 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.8 m -60.44 99.26 0.08 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.6 1.16 . . . . 0.0 112.488 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -63.37 -24.76 67.99 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.4 1.08 . . . . 0.0 113.479 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -64.88 -36.83 85.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.839 1.256 . . . . 0.0 114.17 168.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -64.66 -32.13 73.66 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.982 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.29 -55.58 26.9 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.574 0.625 . . . . 0.0 110.534 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.87 -49.83 71.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.019 0.928 . . . . 0.0 113.162 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -62.05 -44.53 96.48 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 117.691 0.223 . . . . 0.0 111.555 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -68.24 -33.06 73.7 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.55 0.74 . . . . 0.0 112.33 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -57.77 10.72 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.038 0.935 . . . . 0.0 111.024 171.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -67.62 -34.4 76.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.7 0.4 . . . . 0.0 111.779 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -56.47 -53.2 60.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.083 0.953 . . . . 0.0 112.717 169.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -67.34 -37.38 83.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.22 0.918 . . . . 0.0 112.67 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -55.93 -48.54 75.53 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.318 1.417 . . . . 0.0 110.643 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -78.41 -0.42 29.14 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.5 -45.54 4.82 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.232 1.413 . . . . 0.0 112.533 168.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -82.47 -47.13 12.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.66 2.384 . . . . 0.0 113.44 -176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.1 t -99.91 -41.93 7.0 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.118 0.967 . . . . 0.0 112.323 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.94 0 C-N-CA 125.017 1.327 . . . . 0.0 112.965 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 120.439 0.161 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -66.7 140.35 57.88 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.493 0.664 . . . . 0.0 112.141 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 90.3 p -59.79 -26.3 65.63 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 120.706 -1.246 . . . . 0.0 114.162 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -68.78 -29.92 68.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.364 1.866 . . . . 0.0 114.023 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -97.49 -30.58 12.81 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.183 0.901 . . . . 0.0 111.778 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -53.65 -50.16 66.36 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.687 1.595 . . . . 0.0 109.89 172.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -31.67 72.99 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.9 mt -69.77 -47.81 61.6 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.23 . . . . 0.0 112.019 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.61 -41.87 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.673 -0.642 . . . . 0.0 112.14 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -63.53 -41.84 98.45 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.684 -0.635 . . . . 0.0 110.083 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.57 -42.81 83.84 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.659 1.184 . . . . 0.0 112.289 171.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.47 96.02 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.262 0.937 . . . . 0.0 111.23 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -62.75 -42.49 99.7 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 77.1 p -86.93 -28.77 22.56 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -88.34 8.39 27.8 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.75 22.48 72.08 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.567 1.08 . . . . 0.0 114.958 173.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 43.0 t -73.06 148.47 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.97 1.308 . . . . 0.0 111.706 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m -58.92 104.13 0.21 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.866 1.266 . . . . 0.0 112.998 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -58.95 -33.26 70.41 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.023 1.329 . . . . 0.0 113.127 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.41 -34.75 77.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.244 1.418 . . . . 0.0 114.151 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -65.9 -31.17 71.96 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.907 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.37 -54.62 41.39 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.23 0.612 . . . . 0.0 110.947 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -64.95 -49.8 68.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.766 0.826 . . . . 0.0 112.917 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -66.11 -37.61 86.15 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -70.03 -33.92 72.6 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.013 0.824 . . . . 0.0 111.692 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -54.15 49.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.4 0.68 . . . . 0.0 110.445 169.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -61.41 -41.98 98.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.347 0.659 . . . . 0.0 111.865 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -56.51 19.27 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.609 0.764 . . . . 0.0 111.71 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -65.41 -37.45 87.0 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.448 1.022 . . . . 0.0 112.42 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -55.17 -49.7 71.18 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.052 1.296 . . . . 0.0 110.326 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -80.44 -4.04 52.18 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -46.75 5.19 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.081 1.31 . . . . 0.0 112.59 166.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -77.19 -48.33 17.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.739 2.016 . . . . 0.0 113.106 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -98.64 -30.52 12.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.964 0.906 . . . . 0.0 112.267 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 125.64 1.576 . . . . 0.0 111.849 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 121.969 0.89 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -85.0 20.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -153.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.6 t 64.2 -35.77 0.17 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 130.039 3.336 . . . . 0.0 115.119 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.64 -26.02 67.62 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.503 1.921 . . . . 0.0 112.506 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -97.15 -32.02 12.16 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.371 1.068 . . . . 0.0 112.326 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.88 -47.47 80.39 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.156 1.783 . . . . 0.0 110.182 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -33.06 74.66 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.09 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.5 -49.81 44.48 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.946 1.298 . . . . 0.0 112.384 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.48 -42.45 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.527 -0.733 . . . . 0.0 111.839 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -62.41 -42.68 99.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.516 1.126 . . . . 0.0 112.546 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -58.23 -41.04 83.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.062 1.345 . . . . 0.0 113.357 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.22 81.78 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.577 -0.702 . . . . 0.0 111.171 174.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 6.2 mmm -58.39 -40.53 82.61 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 73.6 p -78.98 -31.7 44.99 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.7 t -81.72 5.45 18.42 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.34 20.65 79.57 Favored Glycine 0 CA--C 1.536 1.38 0 O-C-N 121.358 -0.839 . . . . 0.0 114.379 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.01 144.93 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.983 1.313 . . . . 0.0 110.741 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 70.5 m -59.12 111.19 1.24 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.016 0.927 . . . . 0.0 112.186 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -61.55 -29.21 69.86 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -174.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -69.8 -34.36 73.61 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.84 0.856 . . . . 0.0 112.889 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -63.38 -30.6 71.7 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 117.775 -1.107 . . . . 0.0 111.782 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -59.19 -45.21 91.67 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.859 1.209 . . . . 0.0 111.859 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -64.53 -47.14 79.95 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.795 0.725 . . . . 0.0 112.472 171.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -65.09 -39.43 93.17 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.38 -40.34 93.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.481 1.513 . . . . 0.0 111.52 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -53.82 51.72 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 117.944 0.338 . . . . 0.0 110.739 171.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -62.06 -42.01 98.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.438 0.695 . . . . 0.0 112.248 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.46 -46.58 83.48 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.058 1.743 . . . . 0.0 112.918 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -74.52 -40.33 61.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.366 0.985 . . . . 0.0 112.578 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -54.32 -34.24 60.59 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.429 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -17.41 7.66 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 128.793 2.837 . . . . 0.0 115.283 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -132.14 -37.57 1.12 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.169 1.388 . . . . 0.0 113.156 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -70.41 -25.04 63.05 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.78 1.232 . . . . 0.0 113.213 175.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 43.6 t -132.77 -20.73 2.23 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.897 1.279 . . . . 0.0 113.468 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.294 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.73 0 C-N-CA 126.663 1.985 . . . . 0.0 114.055 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 120.997 0.427 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.39 132.02 46.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.725 0.81 . . . . 0.0 112.007 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -57.89 -25.98 61.52 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.607 -1.308 . . . . 0.0 113.717 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.16 -23.27 67.26 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.112 1.765 . . . . 0.0 115.241 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -104.79 -31.65 9.22 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.383 1.073 . . . . 0.0 112.504 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.47 -44.73 72.83 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.007 1.323 . . . . 0.0 110.691 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -36.62 82.65 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.858 -0.591 . . . . 0.0 112.403 177.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.54 -48.42 69.75 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.763 1.225 . . . . 0.0 111.856 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.33 -41.47 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -62.78 -41.49 99.27 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.499 -0.75 . . . . 0.0 110.839 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.09 -39.06 77.62 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.399 1.08 . . . . 0.0 112.976 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.51 80.71 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.289 -0.882 . . . . 0.0 111.518 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.8 mmm -60.88 -38.9 87.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.42 0.288 . . . . 0.0 111.746 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 76.9 p -82.51 -33.39 28.3 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -84.62 8.26 17.44 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.44 21.22 78.67 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.301 0.953 . . . . 0.0 114.438 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.59 145.36 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.238 1.415 . . . . 0.0 111.082 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 49.8 m -58.14 109.1 0.69 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.28 1.032 . . . . 0.0 112.366 -174.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -63.73 -27.31 69.11 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -174.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -70.49 -37.0 74.14 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -64.43 -25.66 68.11 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-O 118.751 -0.643 . . . . 0.0 112.632 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -56.68 13.17 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.058 0.845 . . . . 0.0 110.455 170.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -64.62 -47.9 76.89 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.229 1.011 . . . . 0.0 112.821 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -64.73 -37.43 87.56 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -71.06 -36.09 72.15 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.136 -0.978 . . . . 0.0 112.052 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.16 -51.62 63.73 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.847 -0.533 . . . . 0.0 110.487 170.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.3 -38.1 89.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.181 0.992 . . . . 0.0 112.172 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -58.06 -48.42 80.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.725 1.21 . . . . 0.0 112.803 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -70.8 -41.14 72.01 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.367 -0.833 . . . . 0.0 112.284 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -54.77 -38.44 67.23 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.432 1.014 . . . . 0.0 111.115 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -54.48 -26.04 28.99 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 128.092 2.557 . . . . 0.0 114.55 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -121.01 -40.36 2.62 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.544 1.138 . . . . 0.0 113.433 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -72.85 -23.44 60.75 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.176 1.39 . . . . 0.0 113.008 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -130.4 -27.74 2.16 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.538 1.135 . . . . 0.0 113.299 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.837 0 C-N-CA 126.279 1.832 . . . . 0.0 113.98 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.082 0.468 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -64.9 140.27 58.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.574 0.702 . . . . 0.0 111.749 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -59.44 -28.28 66.82 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 120.95 -1.094 . . . . 0.0 113.641 -173.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -64.44 -27.35 68.93 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.553 1.941 . . . . 0.0 114.184 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -101.3 -31.8 10.8 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.123 0.874 . . . . 0.0 112.776 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -53.79 -47.05 71.17 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.683 1.193 . . . . 0.0 109.71 170.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -33.33 75.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.644 -179.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -69.04 -47.82 64.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.678 1.191 . . . . 0.0 112.223 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.27 -41.78 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.76 -0.587 . . . . 0.0 111.913 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -64.73 -38.72 91.95 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.35 -0.844 . . . . 0.0 111.865 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.68 -39.89 86.03 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.839 1.256 . . . . 0.0 113.343 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.72 90.56 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 119.139 0.881 . . . . 0.0 110.604 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mmm -62.54 -41.93 99.21 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -79.1 -31.82 44.41 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -81.73 4.16 22.96 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.71 23.6 73.98 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 120.767 -1.208 . . . . 0.0 114.024 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.7 t -66.76 148.11 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.523 1.529 . . . . 0.0 110.665 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.8 m -61.52 102.13 0.22 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.707 0.803 . . . . 0.0 112.666 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -61.55 -28.72 69.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.866 1.266 . . . . 0.0 113.66 -176.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -64.99 -34.86 79.44 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.117 1.367 . . . . 0.0 114.063 171.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.57 -30.64 70.99 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.25 -54.21 43.15 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.77 0.428 . . . . 0.0 110.713 172.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -63.45 -49.37 73.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.926 0.89 . . . . 0.0 112.865 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.44 -40.3 95.47 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -69.88 -34.43 73.55 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.749 0.704 . . . . 0.0 112.128 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -55.91 27.96 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.584 0.753 . . . . 0.0 110.841 171.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -66.67 -37.64 85.2 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -53.44 -56.94 12.68 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.298 0.639 . . . . 0.0 111.758 169.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.72 -38.97 90.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.385 0.993 . . . . 0.0 112.162 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -56.36 -51.01 69.87 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.452 1.478 . . . . 0.0 110.838 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -76.74 -12.74 60.03 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -88.52 -48.0 7.91 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.968 1.307 . . . . 0.0 112.337 167.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -43.17 9.81 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.014 2.126 . . . . 0.0 113.312 -163.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -101.02 -26.01 13.86 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.567 1.147 . . . . 0.0 111.638 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.82 0 C-N-CA 126.197 1.799 . . . . 0.0 111.144 169.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 N--CA 1.467 0.398 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -62.76 132.79 53.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.935 0.494 . . . . 0.0 111.763 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -58.5 -25.31 62.23 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.945 -1.097 . . . . 0.0 113.369 -173.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -61.28 -29.52 69.91 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.097 1.759 . . . . 0.0 114.778 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -99.21 -31.85 11.52 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.38 0.991 . . . . 0.0 112.147 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -53.8 -50.51 65.94 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.286 1.034 . . . . 0.0 109.492 170.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -31.97 72.65 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.64 -48.03 65.08 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.078 1.351 . . . . 0.0 111.886 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -65.83 -42.88 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 mtm105 -61.6 -42.26 98.62 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.852 0.861 . . . . 0.0 110.304 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.26 -40.96 83.18 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.702 1.201 . . . . 0.0 113.378 171.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.57 94.86 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 119.015 0.825 . . . . 0.0 111.134 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.5 mmm -64.84 -42.6 94.78 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -78.09 -32.81 50.81 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 5.4 t -82.24 3.42 27.51 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.06 22.24 74.07 Favored Glycine 0 CA--C 1.537 1.432 0 O-C-N 120.868 -1.145 . . . . 0.0 114.387 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 37.1 t -64.03 147.01 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.33 1.452 . . . . 0.0 110.68 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m -55.7 107.93 0.39 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.421 1.088 . . . . 0.0 112.592 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -63.85 -34.13 77.24 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.865 0.866 . . . . 0.0 112.026 -173.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -63.27 -39.65 95.19 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.161 1.384 . . . . 0.0 113.908 174.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.58 -29.73 70.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.227 0.611 . . . . 0.0 112.383 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.93 -54.08 49.0 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.42 0.554 . . . . 0.0 110.982 173.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.88 -48.14 72.5 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.872 0.869 . . . . 0.0 112.673 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.14 -42.58 99.39 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -69.98 -33.05 71.57 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.564 -0.71 . . . . 0.0 112.215 176.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -52.66 64.17 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.479 0.581 . . . . 0.0 110.766 170.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -62.91 -40.89 98.96 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.249 0.477 . . . . 0.0 111.678 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -54.97 -54.59 40.83 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.562 -0.711 . . . . 0.0 112.186 173.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -66.39 -39.14 88.87 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 119.1 0.864 . . . . 0.0 112.401 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -56.29 -51.04 69.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.652 1.569 . . . . 0.0 110.744 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -81.18 -9.45 59.79 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -89.82 -48.4 7.27 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.267 1.394 . . . . 0.0 112.812 165.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -80.15 -51.62 8.76 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.122 2.169 . . . . 0.0 113.236 -173.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -93.09 -34.04 13.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.885 0.874 . . . . 0.0 112.14 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 C-N-CA 125.072 1.349 . . . . 0.0 112.29 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 121.497 0.665 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -65.41 140.78 58.66 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.011 0.925 . . . . 0.0 111.836 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.0 p -58.76 -28.4 65.88 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.798 -1.189 . . . . 0.0 113.474 -176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.16 -26.81 68.69 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.659 1.983 . . . . 0.0 114.532 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -101.84 -31.9 10.51 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.958 0.799 . . . . 0.0 112.662 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -54.24 -47.49 72.16 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 125.637 1.575 . . . . 0.0 110.7 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -35.18 80.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.407 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.04 -47.95 69.81 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.607 1.163 . . . . 0.0 112.016 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -66.27 -40.0 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.845 -0.534 . . . . 0.0 111.943 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -62.98 -39.65 95.34 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.318 -0.864 . . . . 0.0 112.392 170.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -38.23 75.74 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.26 1.024 . . . . 0.0 112.495 172.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.37 -43.74 66.32 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.139 -0.976 . . . . 0.0 111.589 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 2.0 mmm -60.97 -34.94 75.54 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 46.5 p -87.58 -34.81 18.41 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -85.46 8.53 18.72 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.18 17.28 80.25 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.547 1.07 . . . . 0.0 114.986 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.55 145.34 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.479 1.512 . . . . 0.0 111.347 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 52.8 m -56.9 115.65 2.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.989 0.916 . . . . 0.0 111.835 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -65.86 -29.89 70.41 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -172.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -68.62 -35.01 76.73 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.097 0.959 . . . . 0.0 112.985 172.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -60.69 -26.24 66.98 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.481 0.712 . . . . 0.0 112.635 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -53.44 -63.24 1.21 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.651 0.659 . . . . 0.0 111.532 166.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -62.37 -45.26 93.96 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.832 0.853 . . . . 0.0 112.858 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -64.12 -40.0 95.24 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -71.92 -37.07 70.12 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.355 0.979 . . . . 0.0 112.038 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -52.36 63.24 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.781 0.832 . . . . 0.0 110.301 173.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -64.65 -41.6 96.01 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.551 0.74 . . . . 0.0 111.878 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -54.28 -45.82 72.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.245 1.018 . . . . 0.0 112.281 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -72.66 -44.14 62.24 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.343 -0.848 . . . . 0.0 112.537 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -55.44 -35.41 65.41 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.944 1.247 . . . . 0.0 112.302 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -54.18 -28.6 41.65 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 128.658 2.783 . . . . 0.0 113.451 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -116.21 -41.89 3.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.336 1.854 . . . . 0.0 113.965 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -71.44 -26.25 62.65 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.157 1.383 . . . . 0.0 112.994 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 46.6 t -121.63 -35.2 3.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.035 1.334 . . . . 0.0 112.595 172.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.769 0 C-N-CA 125.327 1.451 . . . . 0.0 113.843 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -63.21 132.2 50.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.154 0.582 . . . . 0.0 111.815 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -57.8 -26.45 61.98 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.873 -1.142 . . . . 0.0 113.314 -174.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -61.25 -30.03 70.2 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.263 1.825 . . . . 0.0 114.798 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -96.93 -32.15 12.19 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.438 1.017 . . . . 0.0 112.249 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.05 -50.51 66.54 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.272 1.029 . . . . 0.0 109.52 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -32.53 73.32 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.759 -0.588 . . . . 0.0 112.477 -176.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.54 -47.34 67.15 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.881 1.272 . . . . 0.0 112.521 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 p -64.43 -42.6 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.408 -0.807 . . . . 0.0 112.223 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -61.85 -43.97 97.78 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.935 0.894 . . . . 0.0 110.68 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -58.28 -41.64 84.78 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.127 1.371 . . . . 0.0 113.523 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.5 92.26 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.551 -0.718 . . . . 0.0 111.448 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 2.3 mmm -60.19 -39.37 86.29 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 73.5 p -80.84 -32.66 35.04 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -81.25 5.88 15.79 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.74 23.45 77.88 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 123.993 0.806 . . . . 0.0 114.17 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.34 148.63 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.335 1.454 . . . . 0.0 111.113 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 55.1 m -56.58 112.01 1.16 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.063 0.945 . . . . 0.0 111.98 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.5 -28.19 68.37 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.357 0.663 . . . . 0.0 112.52 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -70.44 -38.04 74.45 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.165 0.986 . . . . 0.0 112.73 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -62.62 -29.3 70.51 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.456 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -57.82 -48.82 78.65 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.517 1.053 . . . . 0.0 111.632 172.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.79 -48.26 77.62 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.435 0.694 . . . . 0.0 112.358 172.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.82 -42.96 97.53 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -33.37 68.86 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.116 0.966 . . . . 0.0 111.858 176.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.69 -52.36 56.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.313 0.96 . . . . 0.0 110.488 168.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -69.66 -35.86 75.55 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.588 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -38.1 89.34 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.31 1.414 . . . . 0.0 113.272 174.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -72.71 -41.18 65.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 119.404 1.002 . . . . 0.0 112.5 170.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -55.46 -41.61 73.17 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.893 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -55.39 -19.09 8.05 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 129.208 3.003 . . . . 0.0 114.58 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -118.36 -44.57 2.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.257 1.823 . . . . 0.0 113.48 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -78.46 -25.09 45.75 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.429 1.492 . . . . 0.0 113.211 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 28.1 t -133.28 -20.52 2.11 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.931 1.292 . . . . 0.0 113.237 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.301 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.767 0 C-N-CA 127.088 2.155 . . . . 0.0 113.843 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 C--O 1.234 0.248 0 CA-C-O 121.382 0.611 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.83 133.44 50.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.781 0.832 . . . . 0.0 110.552 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -59.45 -23.93 63.12 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.967 -1.083 . . . . 0.0 113.399 -172.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.6 -26.01 67.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.716 2.006 . . . . 0.0 114.561 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -102.2 -32.05 10.27 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.022 0.929 . . . . 0.0 112.895 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -54.05 -46.62 71.99 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.902 1.281 . . . . 0.0 109.978 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -34.08 77.55 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.515 -0.755 . . . . 0.0 112.627 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.35 -49.31 64.54 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.198 0.999 . . . . 0.0 111.827 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -67.69 -39.0 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.727 -0.608 . . . . 0.0 112.35 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -67.92 -33.99 75.76 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.11 0.964 . . . . 0.0 112.58 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.29 -39.78 94.12 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.531 1.132 . . . . 0.0 112.794 166.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.06 -41.89 81.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.411 1.005 . . . . 0.0 111.228 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 mmt -56.54 -52.48 64.61 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.941 0.897 . . . . 0.0 111.42 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.7 p -73.21 -31.55 64.23 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -81.5 -3.85 54.27 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.56 27.06 73.56 Favored Glycine 0 CA--C 1.539 1.589 0 O-C-N 120.665 -1.272 . . . . 0.0 113.779 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 t -64.29 149.73 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.995 1.718 . . . . 0.0 110.977 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 m -60.95 98.47 0.07 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.434 1.094 . . . . 0.0 112.577 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -61.18 -29.98 70.13 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.775 1.23 . . . . 0.0 113.03 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -64.29 -37.73 88.53 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.919 1.288 . . . . 0.0 114.022 171.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -63.68 -34.09 77.08 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.042 0.383 . . . . 0.0 111.142 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -54.37 46.65 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.63 0.772 . . . . 0.0 111.575 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -64.51 -48.34 75.49 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -61.81 -47.28 85.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 119.156 -0.45 . . . . 0.0 111.623 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -27.19 62.32 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.433 1.015 . . . . 0.0 113.56 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -57.3 9.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.649 1.113 . . . . 0.0 109.702 168.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -73.94 -33.99 64.14 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.922 0.889 . . . . 0.0 111.983 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -45.88 92.97 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.152 -0.967 . . . . 0.0 112.958 169.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -66.59 -37.62 85.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.224 1.375 . . . . 0.0 112.158 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -55.82 -46.49 78.08 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.711 1.141 . . . . 0.0 110.393 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -80.65 4.37 18.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.495 1.918 . . . . 0.0 115.552 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -46.16 4.03 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.084 1.754 . . . . 0.0 111.981 164.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -78.27 -53.97 6.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.295 2.238 . . . . 0.0 113.286 -176.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.4 t -93.14 -30.85 15.04 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.508 1.123 . . . . 0.0 112.099 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.945 0 C-N-CA 125.164 1.386 . . . . 0.0 112.595 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 120.502 0.191 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.23 137.22 58.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.911 0.884 . . . . 0.0 112.043 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.6 p -57.82 -28.42 64.05 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.152 -0.968 . . . . 0.0 113.379 -176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.64 -22.96 66.7 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.093 1.757 . . . . 0.0 115.296 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -106.68 -32.04 8.18 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.396 1.079 . . . . 0.0 112.471 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -53.63 -46.06 70.36 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.536 1.535 . . . . 0.0 110.182 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -38.82 89.22 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.991 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.9 mt -65.72 -47.85 73.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.606 1.162 . . . . 0.0 112.101 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.1 p -65.96 -43.39 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 120.341 -0.544 . . . . 0.0 112.32 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -63.64 -41.37 98.25 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.425 -0.797 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -59.19 -44.54 92.2 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.413 1.485 . . . . 0.0 113.012 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.85 98.84 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.749 -0.594 . . . . 0.0 111.443 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mmm -63.59 -47.0 83.25 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -73.3 -31.32 63.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -89.07 6.85 37.9 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.75 26.6 64.64 Favored Glycine 0 CA--C 1.537 1.46 0 N-CA-C 115.397 0.919 . . . . 0.0 115.397 171.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.9 t -69.52 150.46 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.963 1.305 . . . . 0.0 112.153 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.8 m -57.81 104.36 0.18 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.713 1.205 . . . . 0.0 112.921 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -62.75 -36.41 82.96 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.055 0.942 . . . . 0.0 112.078 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -63.14 -37.41 87.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.225 1.41 . . . . 0.0 113.812 174.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -69.02 -31.62 70.56 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -51.71 61.24 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.934 0.893 . . . . 0.0 110.512 171.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.16 -52.47 58.89 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.474 1.11 . . . . 0.0 113.531 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.54 -38.15 90.03 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.24 0.473 . . . . 0.0 112.179 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -70.71 -33.51 70.94 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.642 0.655 . . . . 0.0 112.083 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -54.05 51.2 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.776 0.716 . . . . 0.0 111.366 170.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -67.54 -35.05 78.33 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -55.46 -54.14 47.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.072 0.949 . . . . 0.0 112.114 170.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.83 -37.52 84.66 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 118.391 -0.814 . . . . 0.0 112.192 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -55.96 -53.87 51.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.25 1.386 . . . . 0.0 110.787 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -76.7 -1.0 25.66 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -48.01 3.88 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.042 1.337 . . . . 0.0 112.592 167.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -77.86 -51.65 10.13 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.114 2.166 . . . . 0.0 113.276 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.7 t -87.03 -33.51 19.53 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.776 0.83 . . . . 0.0 111.177 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 C-N-CA 124.96 1.304 . . . . 0.0 111.964 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 120.56 0.219 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.68 136.67 58.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.999 0.919 . . . . 0.0 111.56 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -57.02 -30.85 64.55 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.9 -19.74 65.78 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.513 1.925 . . . . 0.0 115.361 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -104.31 -32.28 9.15 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.916 0.886 . . . . 0.0 113.089 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -53.97 -46.82 71.76 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.692 1.197 . . . . 0.0 110.228 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -36.5 80.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.281 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.35 -48.16 62.19 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.647 1.179 . . . . 0.0 112.137 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.32 -40.72 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.823 -0.548 . . . . 0.0 111.972 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -63.58 -40.41 96.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.861 0.864 . . . . 0.0 111.696 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.17 -38.78 80.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.785 1.234 . . . . 0.0 113.56 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.8 82.57 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.438 1.017 . . . . 0.0 110.517 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 4.9 mmm -61.6 -41.67 97.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 119.364 -0.35 . . . . 0.0 111.925 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 81.2 p -79.81 -31.16 40.69 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -80.16 2.18 25.21 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 20.87 74.75 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 120.819 -1.176 . . . . 0.0 113.872 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 32.2 t -63.61 142.02 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.256 1.423 . . . . 0.0 109.967 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -58.02 112.33 1.47 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.833 0.853 . . . . 0.0 112.203 -171.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -65.11 -27.21 68.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -172.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.27 -38.17 84.66 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -60.48 -29.09 68.84 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.999 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -53.88 51.82 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 119.473 1.033 . . . . 0.0 111.686 175.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -65.28 -46.62 79.72 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.261 0.624 . . . . 0.0 112.535 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -66.64 -38.69 87.43 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -32.42 65.48 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.733 -1.229 . . . . 0.0 112.255 171.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.8 -50.59 65.78 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.244 0.929 . . . . 0.0 109.924 166.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -58.68 -46.82 86.41 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.821 175.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -36.6 84.41 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.133 1.333 . . . . 0.0 114.515 -178.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -72.89 -44.04 61.76 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.522 1.055 . . . . 0.0 112.053 170.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -54.45 -39.42 67.41 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.614 0.766 . . . . 0.0 110.868 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.1 -23.36 13.65 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 129.412 3.085 . . . . 0.0 114.588 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -125.6 -37.24 2.35 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.715 1.606 . . . . 0.0 113.53 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -72.72 -25.5 61.24 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.824 1.25 . . . . 0.0 113.344 175.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -138.57 -18.53 1.09 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.25 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.788 0 C-N-CA 125.7 1.6 . . . . 0.0 114.224 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 120.504 0.192 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -64.27 135.57 56.35 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.81 -0.556 . . . . 0.0 112.137 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -56.55 -30.21 62.85 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.033 -1.042 . . . . 0.0 112.69 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -61.27 -30.65 70.6 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -98.81 -31.67 11.75 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.707 1.14 . . . . 0.0 112.136 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -52.93 -47.68 67.85 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.665 1.586 . . . . 0.0 109.756 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -67.55 -29.97 69.49 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.343 -0.836 . . . . 0.0 113.182 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 60.0 mt -71.01 -48.13 54.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.02 1.328 . . . . 0.0 112.363 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 10.4 p -66.27 -37.82 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 O-C-N 121.471 -0.768 . . . . 0.0 112.205 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -67.13 -37.44 83.85 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.283 -0.886 . . . . 0.0 111.824 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -39.23 77.11 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.561 1.144 . . . . 0.0 112.612 167.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -43.0 81.3 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.198 -0.939 . . . . 0.0 111.684 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 15.9 mmt -60.35 -37.02 79.38 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -82.23 -36.37 27.27 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.53 7.99 26.99 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -173.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.7 20.54 78.11 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.549 1.071 . . . . 0.0 114.833 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -67.12 147.04 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.444 1.497 . . . . 0.0 111.757 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 50.5 m -60.01 108.83 0.83 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.255 1.022 . . . . 0.0 111.915 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -65.23 -27.78 68.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -67.72 -40.76 84.21 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 170.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.66 -27.57 69.32 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -56.23 16.64 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.794 0.724 . . . . 0.0 111.278 169.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -64.72 -47.44 78.27 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.94 0.896 . . . . 0.0 112.646 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -64.02 -38.47 91.21 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -72.63 -34.16 67.14 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.192 0.905 . . . . 0.0 111.914 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -52.54 62.73 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.777 -0.577 . . . . 0.0 111.002 166.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -59.71 -41.33 90.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.732 -0.652 . . . . 0.0 111.512 175.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.24 -49.26 77.73 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.672 1.189 . . . . 0.0 113.072 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -71.3 -42.04 69.17 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.629 -0.669 . . . . 0.0 112.076 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -52.65 -40.16 62.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.995 0.816 . . . . 0.0 110.952 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.06 -24.37 9.82 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 128.456 2.703 . . . . 0.0 114.592 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -127.07 -39.08 1.95 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.702 1.601 . . . . 0.0 113.207 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -72.53 -25.8 61.52 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.79 1.236 . . . . 0.0 113.139 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 95.3 p -133.56 -17.44 2.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.287 1.035 . . . . 0.0 113.723 172.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.275 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 126.555 1.942 . . . . 0.0 113.547 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.465 0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.9 t0 -65.69 135.94 55.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.447 1.099 . . . . 0.0 111.09 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.0 t -57.2 -29.56 63.81 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.065 -1.022 . . . . 0.0 112.235 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.96 -20.23 66.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.435 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.5 m95 -103.53 -32.26 9.55 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.017 0.927 . . . . 0.0 112.912 172.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -53.66 -45.94 70.41 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.997 1.319 . . . . 0.0 110.073 171.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -39.46 92.45 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.075 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -66.19 -47.02 75.3 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.506 1.122 . . . . 0.0 111.554 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.4 p -69.03 -43.5 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.8 mtm105 -57.71 -44.0 85.63 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.09 -1.006 . . . . 0.0 111.819 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -43.13 94.1 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.118 0.967 . . . . 0.0 113.082 173.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.62 96.3 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.675 -0.64 . . . . 0.0 110.959 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.0 mmm -64.75 -51.77 60.54 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.8 p -72.21 -32.47 66.81 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -87.13 6.94 30.3 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.61 25.53 67.44 Favored Glycine 0 CA--C 1.538 1.479 0 N-CA-C 115.822 1.089 . . . . 0.0 115.822 168.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -67.83 149.75 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.475 1.51 . . . . 0.0 112.021 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.9 m -58.91 107.48 0.53 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.211 1.004 . . . . 0.0 112.607 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -62.72 -35.82 80.97 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.275 1.03 . . . . 0.0 112.344 -175.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -63.18 -37.19 86.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.91 1.284 . . . . 0.0 113.902 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -65.31 -33.41 75.91 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 118.107 0.412 . . . . 0.0 111.363 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -55.24 35.56 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.745 0.818 . . . . 0.0 111.067 174.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -62.4 -51.25 68.31 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.032 0.933 . . . . 0.0 112.898 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -61.16 -45.26 95.36 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.15 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.67 -34.36 77.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.424 1.011 . . . . 0.0 112.189 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -57.58 11.41 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.516 0.598 . . . . 0.0 111.887 172.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -71.73 -30.21 65.38 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -58.27 -50.28 74.15 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.733 1.213 . . . . 0.0 112.837 168.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -66.78 -39.83 87.95 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.218 0.917 . . . . 0.0 112.253 175.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -54.7 -47.52 73.6 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.943 1.247 . . . . 0.0 110.13 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -81.99 6.96 14.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.44 -45.24 3.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.726 1.21 . . . . 0.0 112.297 164.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -73.82 -33.52 64.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.662 1.985 . . . . 0.0 114.477 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.1 t -134.79 -32.75 0.97 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -168.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.933 0 C-N-CA 125.637 1.575 . . . . 0.0 114.498 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.469 0.484 0 CA-C-O 120.646 0.26 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -67.15 134.02 50.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.251 0.621 . . . . 0.0 111.684 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 16.4 m -59.19 -24.94 63.53 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.699 -1.251 . . . . 0.0 113.966 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -64.01 -23.75 67.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.839 1.655 . . . . 0.0 114.95 174.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -103.7 -30.94 10.11 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.654 1.182 . . . . 0.0 112.391 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.15 -49.1 70.01 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.129 0.972 . . . . 0.0 109.264 169.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -34.49 74.59 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 119.012 -0.518 . . . . 0.0 111.886 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.11 -49.99 57.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.104 1.361 . . . . 0.0 111.994 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.96 -40.82 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.549 -0.719 . . . . 0.0 112.356 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 16.5 mtm105 -64.62 -39.76 94.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.608 0.763 . . . . 0.0 110.49 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.94 -42.28 84.53 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.012 0.925 . . . . 0.0 112.061 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.77 -41.93 82.53 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 120.037 1.29 . . . . 0.0 111.541 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mmm -63.9 -40.15 95.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 62.5 p -86.39 -31.99 21.17 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -87.23 2.32 50.41 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.44 25.47 47.14 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.702 1.144 . . . . 0.0 114.769 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 30.1 t -78.41 150.11 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.073 1.349 . . . . 0.0 112.226 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.3 m -61.36 97.87 0.07 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.206 1.402 . . . . 0.0 113.193 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -59.16 -30.94 68.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.708 1.203 . . . . 0.0 113.165 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -65.2 -33.82 76.92 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.282 1.433 . . . . 0.0 114.289 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -65.84 -33.27 75.47 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 119.19 -0.433 . . . . 0.0 111.4 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -53.16 60.34 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.691 0.796 . . . . 0.0 111.5 -178.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -63.59 -48.34 77.79 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -64.02 -44.46 92.52 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -30.79 67.42 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.528 -0.732 . . . . 0.0 112.799 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -56.99 12.7 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.066 0.848 . . . . 0.0 110.076 170.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -68.83 -35.68 77.25 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.721 0.808 . . . . 0.0 112.296 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.69 -51.0 71.34 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.481 -0.762 . . . . 0.0 112.553 170.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -65.1 -39.05 92.6 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.674 1.124 . . . . 0.0 112.357 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -55.9 -50.11 71.57 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.724 1.147 . . . . 0.0 110.924 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -78.04 -2.66 38.25 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -47.99 5.37 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.61 1.564 . . . . 0.0 112.158 165.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 mmpp? -78.97 -53.86 6.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.938 2.095 . . . . 0.0 113.209 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 39.5 t -91.59 -29.27 17.02 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.295 1.038 . . . . 0.0 111.81 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.881 0 C-N-CA 125.314 1.446 . . . . 0.0 111.661 173.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.534 0.363 0 CA-C-O 121.576 0.703 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.11 22.06 1.01 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 116.914 2.191 . . . . 0.0 116.914 -156.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m 63.16 -36.0 0.14 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 129.957 3.303 . . . . 0.0 115.657 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -63.82 -29.34 70.54 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.885 2.074 . . . . 0.0 112.313 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -96.42 -30.51 13.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.956 0.903 . . . . 0.0 112.046 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -57.63 -48.92 78.11 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.639 1.575 . . . . 0.0 109.692 170.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -65.22 -29.6 70.42 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 62.2 mt -68.89 -50.73 47.06 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.747 1.219 . . . . 0.0 112.371 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -65.86 -35.61 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 O-C-N 121.528 -0.733 . . . . 0.0 112.498 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 mtm105 -63.91 -42.71 97.35 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.3 -0.875 . . . . 0.0 111.149 172.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -36.37 72.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.257 1.023 . . . . 0.0 113.094 170.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.31 75.6 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.226 -0.921 . . . . 0.0 111.931 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' MET . . . . . 0.474 ' HE3' ' CD1' ' D' ' 14' ' ' TRP . 25.8 mmt -60.53 -40.73 92.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.197 0.453 . . . . 0.0 111.671 173.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 82.7 p -79.88 -35.1 38.56 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -87.14 8.25 24.57 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.436 1.016 . . . . 0.0 113.676 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.4 23.8 76.32 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.704 -1.248 . . . . 0.0 114.472 174.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 6.5 t -66.94 145.19 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.06 1.344 . . . . 0.0 111.083 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -59.77 111.07 1.31 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.616 1.166 . . . . 0.0 111.606 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -67.19 -24.36 65.85 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -171.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -67.92 -33.74 75.27 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 171.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -63.49 -26.34 68.67 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 123.352 0.661 . . . . 0.0 112.529 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.43 -59.0 5.14 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 118.518 0.599 . . . . 0.0 111.006 168.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -63.12 -47.88 80.91 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.606 0.763 . . . . 0.0 112.582 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -64.9 -37.03 86.27 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.24 -36.8 69.19 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.598 1.09 . . . . 0.0 112.169 173.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -50.19 67.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.402 0.681 . . . . 0.0 109.706 171.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.25 -44.09 96.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 112.428 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -53.45 -47.23 69.89 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.779 1.231 . . . . 0.0 112.52 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -74.4 -43.44 56.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.932 0.787 . . . . 0.0 112.99 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -53.76 -35.66 61.51 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.232 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -53.72 -23.63 12.27 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 128.664 2.786 . . . . 0.0 114.664 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -127.09 -37.66 2.06 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.693 1.597 . . . . 0.0 112.66 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -70.52 -24.79 62.89 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.469 1.108 . . . . 0.0 113.226 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 26.1 t -144.66 -17.13 0.53 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.928 0 C-N-CA 127.076 2.15 . . . . 0.0 115.156 170.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' ASP . . . . . 0.444 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 6.2 t0 -64.37 136.38 57.07 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.387 0.613 . . . . 0.0 111.853 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 99.4 p -58.45 -29.07 65.87 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.689 -1.257 . . . . 0.0 113.469 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.32 -27.06 66.85 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.195 1.798 . . . . 0.0 114.297 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' TRP . . . . . 0.474 ' CD1' ' HE3' ' C' ' 22' ' ' MET . 1.9 m95 -100.41 -31.28 11.38 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.096 0.862 . . . . 0.0 112.871 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -53.86 -48.09 70.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.265 1.026 . . . . 0.0 109.584 170.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -35.17 79.38 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.977 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 54.0 mt -68.06 -45.48 73.77 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.212 1.405 . . . . 0.0 112.411 177.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.6 -43.62 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.561 -0.712 . . . . 0.0 112.118 176.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 23.3 mtm105 -62.88 -41.25 99.33 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.728 -0.607 . . . . 0.0 110.615 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.78 -41.89 87.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.395 1.478 . . . . 0.0 113.492 173.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.93 92.19 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 121.482 -0.761 . . . . 0.0 111.486 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mmm -60.75 -40.08 91.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 76.3 p -78.41 -31.3 48.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t -81.69 5.83 17.14 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.91 22.28 78.8 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 123.903 0.763 . . . . 0.0 114.168 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 36.1 t -67.27 146.57 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.892 1.277 . . . . 0.0 111.061 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -57.92 109.84 0.81 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.274 1.03 . . . . 0.0 112.139 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.29 -31.33 71.91 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.921 0.888 . . . . 0.0 113.222 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -67.25 -36.6 81.95 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.91 0.884 . . . . 0.0 112.7 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -64.02 -29.12 70.29 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 118.572 -0.728 . . . . 0.0 112.432 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.41 -47.18 84.76 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.672 1.124 . . . . 0.0 111.707 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -62.72 -49.95 73.06 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.739 0.7 . . . . 0.0 112.199 172.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.47 -37.17 84.52 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.96 -30.41 62.51 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.183 1.356 . . . . 0.0 111.868 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.34 -50.72 70.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.104 0.866 . . . . 0.0 110.243 166.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -61.05 -40.38 93.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.311 0.644 . . . . 0.0 112.055 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -59.63 -47.52 85.25 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.997 1.319 . . . . 0.0 112.758 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -70.2 -43.0 71.6 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.869 -0.519 . . . . 0.0 111.729 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -53.62 -41.68 66.95 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.54 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -53.5 -23.18 9.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.203 2.601 . . . . 0.0 114.812 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -118.6 -43.0 2.71 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.055 1.742 . . . . 0.0 112.861 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -36.13 71.47 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -177.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 89.3 p -125.65 -10.68 6.76 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.111 1.364 . . . . 0.0 114.504 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.287 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 128.642 2.777 . . . . 0.0 113.923 175.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 121.488 0.661 . . . . 0.0 111.73 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.414 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 11.8 t0 -67.48 136.88 55.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.77 1.228 . . . . 0.0 111.365 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.8 t -57.19 -28.9 63.25 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.049 -1.032 . . . . 0.0 112.513 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -60.99 -28.45 69.04 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 173.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.414 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.7 m95 -100.95 -31.8 10.95 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.46 1.027 . . . . 0.0 112.469 177.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -53.91 -47.28 71.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.015 1.326 . . . . 0.0 110.043 171.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -36.59 84.15 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.53 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.06 -48.04 72.34 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.472 1.109 . . . . 0.0 111.901 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.68 -41.69 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 119.946 -0.702 . . . . 0.0 112.445 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -66.22 -37.55 85.82 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.54 -0.725 . . . . 0.0 111.27 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.71 -43.9 93.95 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.19 0.996 . . . . 0.0 112.69 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.84 97.72 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.783 -0.573 . . . . 0.0 111.422 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.3 mmt -58.26 -51.37 70.07 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.034 0.534 . . . . 0.0 112.18 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.0 p -77.63 -30.96 52.48 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -174.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -83.23 4.27 27.58 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.98 21.94 78.93 Favored Glycine 0 CA--C 1.535 1.315 0 O-C-N 121.048 -1.032 . . . . 0.0 114.729 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -63.46 150.56 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.248 1.419 . . . . 0.0 111.132 174.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -65.04 89.97 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.195 0.998 . . . . 0.0 112.274 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -21.65 65.37 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.864 1.266 . . . . 0.0 114.239 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -60.03 -36.21 76.78 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 165.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -65.5 -35.1 79.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 118.694 -0.669 . . . . 0.0 111.712 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -55.89 -47.62 77.07 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.855 0.752 . . . . 0.0 110.522 173.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -63.2 -53.39 53.9 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.881 0.764 . . . . 0.0 113.031 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -63.21 -40.72 98.27 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 117.816 0.28 . . . . 0.0 111.665 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -68.49 -33.18 73.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.006 0.922 . . . . 0.0 112.169 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -54.51 46.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.392 0.677 . . . . 0.0 111.201 173.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -68.4 -36.71 79.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.7 0.4 . . . . 0.0 111.874 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -54.56 -52.26 62.66 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.657 0.783 . . . . 0.0 112.448 169.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -66.15 -40.68 90.74 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.271 0.941 . . . . 0.0 112.289 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -56.38 -51.59 67.74 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.553 1.524 . . . . 0.0 110.638 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -77.0 -10.77 59.59 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -85.79 -45.31 11.73 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.588 1.155 . . . . 0.0 112.39 165.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -47.53 5.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.35 1.86 . . . . 0.0 113.62 -162.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 t -84.14 -32.68 24.54 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.094 0.958 . . . . 0.0 111.042 167.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 125.896 1.678 . . . . 0.0 112.039 173.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -67.03 133.64 50.31 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.312 0.645 . . . . 0.0 110.33 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.9 m -59.48 -22.19 61.21 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 -167.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.77 -25.66 66.68 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.543 1.937 . . . . 0.0 114.522 172.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -102.28 -32.16 10.19 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.174 0.99 . . . . 0.0 112.627 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -54.17 -49.25 69.75 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.323 1.049 . . . . 0.0 109.394 169.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -34.27 76.5 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.776 -0.63 . . . . 0.0 112.176 -177.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -67.15 -48.54 67.71 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.774 1.23 . . . . 0.0 112.157 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -66.52 -41.14 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 120.016 -0.673 . . . . 0.0 112.193 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 mtm105 -66.07 -38.16 87.62 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.394 -0.817 . . . . 0.0 110.68 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.39 -41.62 89.8 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.538 1.135 . . . . 0.0 112.606 170.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.76 -43.29 84.48 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.196 0.907 . . . . 0.0 111.323 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mmm -62.6 -42.91 99.85 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -78.0 -28.2 49.2 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -75.06 -28.33 60.33 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.942 0.792 . . . . 0.0 112.411 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.32 25.78 46.38 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 113.034 -170.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.4 t -60.04 150.0 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.549 1.94 . . . . 0.0 111.036 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 67.5 m -58.41 102.75 0.12 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.07 0.948 . . . . 0.0 112.634 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -61.48 -33.99 74.7 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.523 1.129 . . . . 0.0 112.277 -174.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -60.88 -35.14 75.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.413 1.485 . . . . 0.0 114.292 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.97 -32.88 74.41 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.13 0.572 . . . . 0.0 111.901 -176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.04 -58.75 6.14 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.529 0.604 . . . . 0.0 110.87 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -64.33 -47.95 77.43 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.166 0.986 . . . . 0.0 113.119 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -63.97 -43.36 96.02 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 119.513 -0.28 . . . . 0.0 111.568 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -66.78 -36.0 81.39 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.83 0.741 . . . . 0.0 112.208 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -54.75 42.17 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.144 0.977 . . . . 0.0 110.815 174.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -67.8 -36.01 79.67 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.395 0.678 . . . . 0.0 111.956 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.69 -50.15 72.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.789 0.836 . . . . 0.0 112.595 169.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -67.42 -37.83 83.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.421 1.009 . . . . 0.0 112.632 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -55.99 -48.87 75.05 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.233 1.379 . . . . 0.0 110.254 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -77.69 -5.0 49.0 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -93.92 -48.92 6.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.197 1.399 . . . . 0.0 112.409 167.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -57.98 3.48 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.988 2.115 . . . . 0.0 112.778 -177.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -87.68 -29.96 20.74 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.725 1.21 . . . . 0.0 111.893 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.817 0 C-N-CA 125.415 1.486 . . . . 0.0 112.381 172.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.88 130.61 43.73 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.239 0.543 . . . . 0.0 111.588 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 18.1 m -58.06 -25.79 61.69 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.714 -1.241 . . . . 0.0 113.838 -171.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -63.52 -27.53 69.32 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.553 1.941 . . . . 0.0 114.512 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -97.68 -32.36 11.8 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.026 0.83 . . . . 0.0 112.668 177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -54.27 -46.38 72.68 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.264 1.425 . . . . 0.0 110.184 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -33.87 77.01 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.832 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.23 -48.11 66.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.367 1.067 . . . . 0.0 112.246 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.68 -41.7 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.577 -0.702 . . . . 0.0 112.052 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -63.29 -40.42 97.31 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.181 0.992 . . . . 0.0 112.61 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -60.84 -40.24 92.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.156 1.382 . . . . 0.0 113.537 170.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.97 90.26 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.419 -0.801 . . . . 0.0 111.034 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mmm -60.57 -45.48 93.76 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 73.8 p -73.13 -31.14 64.1 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 5.2 t -83.3 4.63 26.3 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.93 20.71 80.02 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.195 -0.94 . . . . 0.0 114.894 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 23.5 t -59.44 144.99 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.596 1.558 . . . . 0.0 111.015 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 65.3 m -56.82 110.95 0.89 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.177 0.991 . . . . 0.0 112.171 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -65.59 -28.0 68.82 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -67.89 -40.61 83.46 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.767 0.712 . . . . 0.0 112.368 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -61.96 -29.15 70.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 118.409 0.55 . . . . 0.0 112.381 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -53.75 51.06 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.109 0.868 . . . . 0.0 110.959 171.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -64.23 -49.2 72.89 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.43 1.092 . . . . 0.0 113.0 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.76 -38.97 93.1 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -74.7 -33.66 62.46 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.563 1.145 . . . . 0.0 112.041 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -54.27 33.49 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.641 -0.662 . . . . 0.0 110.299 165.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.42 -32.21 73.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.257 0.623 . . . . 0.0 112.529 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -58.74 -54.64 44.77 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.607 1.163 . . . . 0.0 112.199 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -67.23 -40.85 86.4 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.581 0.628 . . . . 0.0 111.585 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -53.69 -41.17 66.64 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.649 0.78 . . . . 0.0 111.17 173.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -53.91 -23.08 11.59 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.641 1.977 . . . . 0.0 114.489 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -116.95 -40.83 3.09 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.542 1.537 . . . . 0.0 113.484 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -74.36 -25.37 59.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.824 1.25 . . . . 0.0 113.79 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 93.8 p -135.07 -20.09 1.71 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.252 1.421 . . . . 0.0 114.036 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.842 0 C-N-CA 126.894 2.078 . . . . 0.0 113.942 170.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -63.43 132.09 50.3 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.949 0.499 . . . . 0.0 111.561 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -58.33 -26.35 62.98 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.923 -1.11 . . . . 0.0 113.376 -172.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -61.53 -26.4 67.91 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.752 2.021 . . . . 0.0 114.948 173.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -100.2 -32.1 11.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.826 0.85 . . . . 0.0 112.646 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -55.43 -44.64 76.48 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.518 1.527 . . . . 0.0 111.113 170.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -32.6 74.13 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 177.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 71.3 mt -68.46 -45.03 73.55 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.343 1.057 . . . . 0.0 112.09 174.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.4 -42.11 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 121.785 -0.572 . . . . 0.0 112.328 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -58.19 -41.72 84.54 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.035 -1.041 . . . . 0.0 112.354 169.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.95 -38.41 78.97 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.92 0.888 . . . . 0.0 112.469 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.12 -44.68 71.92 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.196 0.907 . . . . 0.0 111.076 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.6 mmm -61.52 -40.5 94.85 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.768 0.427 . . . . 0.0 111.857 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 60.8 p -83.46 -32.31 26.09 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -83.77 8.37 14.89 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.17 19.27 78.49 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.193 -0.942 . . . . 0.0 114.484 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.9 144.29 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.323 1.449 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 60.9 m -58.82 114.75 2.69 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.92 0.888 . . . . 0.0 111.868 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -66.65 -28.58 68.58 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.319 0.648 . . . . 0.0 112.706 -171.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -65.87 -39.43 90.7 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.453 0.701 . . . . 0.0 112.708 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -60.05 -29.29 68.43 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.306 0.642 . . . . 0.0 112.315 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.24 -56.35 19.18 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.132 0.878 . . . . 0.0 111.515 175.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.45 -45.24 84.53 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.575 0.75 . . . . 0.0 112.69 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.12 -41.7 97.13 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -33.86 64.76 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.301 1.04 . . . . 0.0 112.972 174.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -52.53 52.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.842 0.746 . . . . 0.0 109.192 169.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -65.85 -41.07 92.16 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.682 0.793 . . . . 0.0 112.593 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.98 -46.83 68.44 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.212 1.405 . . . . 0.0 111.947 175.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -71.84 -43.34 65.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.669 -0.681 . . . . 0.0 112.511 174.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -55.82 -40.23 72.49 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.452 1.024 . . . . 0.0 112.503 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -54.37 -26.27 29.19 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 129.209 3.004 . . . . 0.0 113.591 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -117.08 -38.91 3.29 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.659 1.584 . . . . 0.0 113.607 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -44.69 72.17 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.415 1.086 . . . . 0.0 112.463 176.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 33.3 p -116.47 -22.79 8.57 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 125.148 1.379 . . . . 0.0 113.319 175.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 121.575 0.703 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 12.9 t0 -66.79 138.24 57.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.351 1.46 . . . . 0.0 111.713 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 t -58.33 -26.68 63.37 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.585 -1.322 . . . . 0.0 112.66 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.39 -27.68 69.47 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.703 1.601 . . . . 0.0 114.901 173.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.421 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.4 m95 -99.99 -31.98 11.19 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.133 0.879 . . . . 0.0 112.42 176.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -53.94 -47.48 71.22 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.111 1.364 . . . . 0.0 109.98 171.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -33.01 74.92 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.821 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.72 -47.9 61.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.604 1.162 . . . . 0.0 111.921 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.7 -41.49 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.647 -0.658 . . . . 0.0 111.989 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -65.04 -36.85 85.69 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.832 -1.167 . . . . 0.0 112.759 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.45 -42.24 86.95 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.204 1.002 . . . . 0.0 112.14 167.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.25 -44.78 87.07 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 119.145 0.884 . . . . 0.0 111.049 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.3 mmm -62.63 -48.88 77.44 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.1 p -70.61 -27.69 64.27 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.9 t -74.33 -28.43 61.15 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.276 0.944 . . . . 0.0 112.275 175.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.99 23.33 55.72 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.567 -0.708 . . . . 0.0 113.009 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.0 t -58.9 147.11 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.847 1.659 . . . . 0.0 110.367 170.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.5 m -61.28 101.12 0.15 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.767 0.827 . . . . 0.0 112.755 -174.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -62.59 -25.81 68.27 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.549 1.14 . . . . 0.0 113.572 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -65.87 -37.37 85.98 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -63.36 -33.83 76.39 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 119.023 -0.513 . . . . 0.0 111.175 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -56.44 16.82 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.807 0.843 . . . . 0.0 111.164 174.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -64.29 -51.12 65.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.89 0.876 . . . . 0.0 113.173 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -65.89 -38.52 88.97 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -68.96 -33.58 73.93 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.116 0.871 . . . . 0.0 111.946 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -54.55 45.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.185 0.594 . . . . 0.0 111.13 171.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.12 -36.49 82.02 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -54.86 -54.64 39.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.855 0.862 . . . . 0.0 112.161 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -67.35 -36.8 82.13 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 118.333 -0.842 . . . . 0.0 112.67 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -55.83 -52.41 64.14 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.605 1.548 . . . . 0.0 110.811 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -73.82 -13.16 60.89 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -91.56 -49.73 6.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.226 1.41 . . . . 0.0 112.78 169.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -82.45 -51.82 7.47 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.641 2.376 . . . . 0.0 113.155 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -89.0 -33.0 17.34 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.503 0.721 . . . . 0.0 111.447 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.802 0 C-N-CA 125.198 1.399 . . . . 0.0 112.398 174.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 120.735 0.302 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.407 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 9.0 t0 -67.52 137.01 55.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.667 0.787 . . . . 0.0 112.192 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 37.8 t -56.78 -28.67 61.67 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.87 -1.144 . . . . 0.0 112.753 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.38 -25.6 68.09 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . 0.407 ' CD1' ' HB3' ' B' ' 11' ' ' ASP . 2.2 m95 -103.17 -31.25 10.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.26 1.024 . . . . 0.0 112.435 176.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -53.31 -46.34 69.35 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.052 1.341 . . . . 0.0 109.802 170.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -35.13 79.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.234 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -68.08 -48.22 66.13 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.03 1.332 . . . . 0.0 111.795 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.19 -41.34 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.892 -0.505 . . . . 0.0 112.002 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -65.23 -40.06 93.58 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.293 -0.879 . . . . 0.0 110.888 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.72 -41.13 81.15 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.295 1.038 . . . . 0.0 112.475 170.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.48 90.95 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 119.243 0.928 . . . . 0.0 111.074 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 2.1 mmm -61.74 -46.12 90.97 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -80.22 -27.13 38.83 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.6 t -81.5 1.78 31.87 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 25.36 73.63 Favored Glycine 0 CA--C 1.537 1.443 0 O-C-N 120.69 -1.256 . . . . 0.0 113.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.3 148.25 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 110.817 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.5 m -57.55 99.77 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.901 1.28 . . . . 0.0 113.085 -175.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -60.32 -31.87 70.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.12 0.968 . . . . 0.0 112.861 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -64.02 -35.98 82.48 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.185 1.394 . . . . 0.0 113.753 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -64.04 -34.92 79.12 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.135 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -52.38 66.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.954 0.797 . . . . 0.0 111.493 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -64.13 -50.89 66.47 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -64.16 -44.74 91.18 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 119.196 -0.43 . . . . 0.0 111.842 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -26.83 63.81 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.479 1.036 . . . . 0.0 113.023 176.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -56.19 24.43 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.504 1.047 . . . . 0.0 110.875 168.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -67.9 -34.8 77.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.768 0.427 . . . . 0.0 112.056 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -56.25 -54.44 45.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.997 0.919 . . . . 0.0 112.677 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -66.93 -35.86 80.95 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 118.181 -0.914 . . . . 0.0 112.254 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.04 -51.22 68.59 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 120.934 1.697 . . . . 0.0 110.488 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -75.03 -3.98 35.7 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -46.43 5.0 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.73 1.612 . . . . 0.0 112.466 170.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -55.58 4.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 127.081 2.152 . . . . 0.0 112.625 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.4 t -85.89 -37.05 19.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.729 0.812 . . . . 0.0 111.585 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 124.797 1.239 . . . . 0.0 112.065 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 120.941 0.4 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -77.46 21.17 0.27 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.187 2.292 . . . . 0.0 117.187 -164.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m 63.54 -32.84 0.12 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 130.18 3.392 . . . . 0.0 115.81 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -63.98 -47.97 78.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 126.037 1.735 . . . . 0.0 110.983 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -74.05 -27.43 60.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.658 0.783 . . . . 0.0 111.672 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.17 -51.79 58.96 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.189 1.795 . . . . 0.0 110.808 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -65.2 -28.25 69.25 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.567 176.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.44 -48.71 63.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.478 1.111 . . . . 0.0 113.645 172.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -64.76 -39.72 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 120.674 -1.266 . . . . 0.0 111.837 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -64.48 -37.95 89.31 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.756 1.222 . . . . 0.0 112.232 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.98 -41.66 83.45 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.42 1.088 . . . . 0.0 112.301 167.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.61 78.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.76 1.164 . . . . 0.0 111.558 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -60.52 -37.68 81.92 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 57.3 p -85.99 -31.2 22.18 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.86 8.49 19.96 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.664 1.12 . . . . 0.0 114.014 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.91 19.83 78.42 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.639 1.114 . . . . 0.0 114.569 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.21 146.06 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.761 1.625 . . . . 0.0 111.392 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 62.8 m -59.71 110.01 1.05 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.16 0.984 . . . . 0.0 112.555 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -65.98 -27.54 68.22 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.72 -36.44 82.47 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -62.99 -29.02 70.5 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -54.76 43.13 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.056 0.844 . . . . 0.0 111.216 173.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -65.16 -50.09 67.3 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.233 0.613 . . . . 0.0 112.632 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -65.94 -36.95 84.76 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -74.54 -31.77 62.22 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.398 0.999 . . . . 0.0 112.343 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.45 -53.91 50.37 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.832 0.742 . . . . 0.0 109.93 166.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -60.51 -37.0 79.72 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.503 0.721 . . . . 0.0 112.151 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -62.21 -48.56 79.46 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.701 1.2 . . . . 0.0 113.56 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -68.83 -40.9 79.19 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.053 -1.029 . . . . 0.0 111.228 175.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -54.57 -38.51 66.75 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.801 0.841 . . . . 0.0 111.138 172.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -54.29 -26.27 28.37 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 128.441 2.696 . . . . 0.0 114.484 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -121.66 -40.2 2.57 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.799 1.24 . . . . 0.0 113.257 -177.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -73.13 -22.99 60.42 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.837 1.255 . . . . 0.0 113.149 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -132.68 -26.06 1.83 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.653 1.181 . . . . 0.0 113.423 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 126.641 1.976 . . . . 0.0 114.092 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 9.0 t0 -62.15 136.54 57.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.463 0.705 . . . . 0.0 111.928 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -56.2 -30.24 62.01 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.019 -1.051 . . . . 0.0 112.339 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -60.43 -28.27 68.14 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' TRP . . . . . 0.421 ' CD1' ' HB3' ' D' ' 11' ' ' ASP . 2.4 m95 -102.04 -31.09 10.81 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.42 1.009 . . . . 0.0 112.315 177.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -53.77 -48.69 69.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.511 1.124 . . . . 0.0 109.851 170.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -35.83 81.57 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.067 -177.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -65.91 -45.64 81.19 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.124 1.369 . . . . 0.0 111.879 176.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.01 -43.06 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 mtm105 -63.07 -38.27 90.53 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.719 -0.613 . . . . 0.0 110.492 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.97 -40.18 88.21 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.452 1.101 . . . . 0.0 113.192 170.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.85 84.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.381 0.991 . . . . 0.0 111.196 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 17.3 mmt -57.34 -44.65 84.46 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 173.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 82.8 p -82.97 -31.82 27.39 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.2 t -84.12 7.17 19.69 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.26 21.66 79.2 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.219 0.914 . . . . 0.0 114.405 175.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 26.2 t -67.29 145.9 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.95 1.7 . . . . 0.0 111.088 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -60.1 108.91 0.85 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.928 0.891 . . . . 0.0 111.889 -174.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -65.36 -26.76 68.16 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -173.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.13 -37.58 86.07 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 118.794 0.725 . . . . 0.0 112.496 172.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -62.38 -28.94 70.12 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.209 0.604 . . . . 0.0 112.361 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.24 -56.57 18.46 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.51 0.595 . . . . 0.0 110.548 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.19 -48.29 68.36 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.077 0.951 . . . . 0.0 113.05 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.41 -40.61 97.08 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -74.58 -32.72 62.47 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.91 0.884 . . . . 0.0 112.557 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -53.57 50.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.802 0.728 . . . . 0.0 110.273 168.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -63.99 -38.71 92.09 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.962 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -57.83 -47.76 81.72 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.727 1.149 . . . . 0.0 113.156 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -69.98 -39.55 75.87 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.02 -1.05 . . . . 0.0 112.024 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -55.77 -41.03 73.43 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.086 171.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -57.04 -19.92 21.62 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 129.312 3.045 . . . . 0.0 114.364 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -119.92 -42.9 2.58 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.708 1.603 . . . . 0.0 113.219 -173.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -80.58 -25.88 38.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.917 1.687 . . . . 0.0 113.138 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -131.59 -16.5 3.01 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.285 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 126.769 2.028 . . . . 0.0 114.578 176.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -77.11 24.09 0.18 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 -162.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m 63.68 -32.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 130.432 3.493 . . . . 0.0 115.883 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -62.04 -50.53 71.62 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.628 1.971 . . . . 0.0 110.395 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -75.15 -27.04 59.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.698 1.199 . . . . 0.0 111.947 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -65.95 -50.75 63.28 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.406 1.882 . . . . 0.0 111.215 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -29.5 68.87 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 118.318 -0.848 . . . . 0.0 112.405 176.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.48 -46.19 80.74 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.412 1.085 . . . . 0.0 113.142 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.5 -39.66 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 121.055 -1.028 . . . . 0.0 111.928 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -61.0 -40.26 92.83 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.09 -1.006 . . . . 0.0 112.043 170.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -40.44 80.84 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.237 1.015 . . . . 0.0 112.01 171.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -43.93 79.08 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.582 1.083 . . . . 0.0 111.685 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.9 mmm -62.63 -37.17 85.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.065 0.546 . . . . 0.0 112.163 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -87.59 -34.0 18.69 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -85.58 8.75 18.22 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.16 22.51 68.06 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.425 1.012 . . . . 0.0 115.101 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -73.68 148.03 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.098 1.359 . . . . 0.0 111.979 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.2 m -65.88 103.15 0.87 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.93 0.892 . . . . 0.0 112.923 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -60.83 -27.64 68.22 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.554 1.542 . . . . 0.0 114.137 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -65.96 -35.18 79.89 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -67.36 -30.64 70.5 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 118.778 -0.629 . . . . 0.0 111.868 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -53.39 46.56 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.301 1.04 . . . . 0.0 110.812 174.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -63.5 -50.14 70.82 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.863 0.865 . . . . 0.0 113.005 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -65.22 -36.89 85.57 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -68.88 -35.72 77.22 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.689 0.796 . . . . 0.0 111.492 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -54.79 42.03 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.505 0.722 . . . . 0.0 111.016 170.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.92 -42.98 99.15 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.409 0.549 . . . . 0.0 111.614 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.91 -52.48 60.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.3 1.04 . . . . 0.0 112.362 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.65 -39.33 77.16 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.964 0.802 . . . . 0.0 112.965 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -56.11 -49.2 74.55 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.099 1.318 . . . . 0.0 110.806 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -81.96 3.59 25.88 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.53 -46.64 4.5 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.746 -1.222 . . . . 0.0 112.486 164.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -81.03 -50.29 9.86 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 127.336 2.254 . . . . 0.0 113.772 -176.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 t -93.61 -39.79 10.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.715 0.806 . . . . 0.0 112.079 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.935 0 C-N-CA 124.8 1.24 . . . . 0.0 112.237 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -63.48 139.48 58.77 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.277 0.56 . . . . 0.0 112.097 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.2 p -58.1 -31.03 66.73 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.798 -1.189 . . . . 0.0 113.407 -176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.34 -28.18 69.83 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.331 1.853 . . . . 0.0 114.789 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -99.95 -31.87 11.25 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.231 0.923 . . . . 0.0 112.16 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -54.32 -49.96 68.48 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.232 1.013 . . . . 0.0 109.552 170.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -35.01 77.94 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.769 -0.634 . . . . 0.0 112.293 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -65.94 -45.55 81.4 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.829 1.251 . . . . 0.0 112.457 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 p -69.81 -42.38 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtm105 -60.72 -39.1 87.35 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.779 0.832 . . . . 0.0 110.29 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.84 -41.68 96.29 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.512 1.125 . . . . 0.0 113.258 169.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.89 97.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 119.544 1.065 . . . . 0.0 110.968 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.2 mmt -60.29 -52.44 65.28 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 173.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -73.89 -30.85 62.83 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.37 8.44 27.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.866 1.266 . . . . 0.0 113.517 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.69 26.1 70.43 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.515 1.055 . . . . 0.0 115.184 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.9 149.39 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.126 1.37 . . . . 0.0 112.138 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.0 m -56.1 110.0 0.68 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.524 1.13 . . . . 0.0 112.351 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.89 -39.61 95.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.547 0.739 . . . . 0.0 112.141 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -61.57 -35.77 78.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.402 1.481 . . . . 0.0 113.924 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -62.7 -34.84 77.96 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.635 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -51.1 68.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.27 0.941 . . . . 0.0 111.491 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -64.59 -49.2 72.06 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.17 0.988 . . . . 0.0 112.853 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -63.81 -43.14 97.15 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 118.862 -0.59 . . . . 0.0 112.023 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -33.54 76.02 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.5 1.046 . . . . 0.0 112.32 173.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -57.08 13.8 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.242 0.928 . . . . 0.0 111.332 171.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -68.95 -34.43 75.35 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -56.98 -52.68 64.28 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.368 -0.833 . . . . 0.0 112.458 170.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -64.23 -41.29 97.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.705 175.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -56.73 -51.11 70.13 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.517 1.508 . . . . 0.0 111.089 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -83.6 -0.69 51.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -176.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -47.47 5.64 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.598 1.159 . . . . 0.0 112.635 160.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -42.58 13.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.469 1.908 . . . . 0.0 113.575 -165.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 27.6 t -95.09 -31.44 13.56 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.098 0.959 . . . . 0.0 111.578 168.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 125.658 1.583 . . . . 0.0 111.952 173.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -67.62 130.57 43.44 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.272 1.029 . . . . 0.0 110.531 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.8 m -57.41 -25.35 59.45 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.071 -1.018 . . . . 0.0 113.541 -172.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.41 -28.31 69.6 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.277 1.831 . . . . 0.0 114.101 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -93.34 -34.11 13.62 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.472 1.033 . . . . 0.0 112.863 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.32 -46.81 72.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.79 1.236 . . . . 0.0 110.299 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -32.12 73.3 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.802 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.3 -45.66 69.06 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.487 1.115 . . . . 0.0 112.311 175.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.37 -43.04 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.57 -0.706 . . . . 0.0 111.585 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -56.07 -46.56 78.96 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.665 1.186 . . . . 0.0 112.429 170.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -58.22 -42.43 86.25 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.034 1.334 . . . . 0.0 112.958 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.96 91.21 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.465 -0.772 . . . . 0.0 111.636 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 4.6 mmm -59.62 -41.65 90.91 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 70.1 p -80.35 -30.47 38.0 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -82.93 6.99 16.72 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.42 18.26 79.29 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.888 0.756 . . . . 0.0 114.418 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 17.3 t -62.4 144.86 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.469 1.508 . . . . 0.0 110.82 176.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 74.2 m -58.65 112.67 1.7 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.813 0.845 . . . . 0.0 111.677 -175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -63.53 -32.54 74.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.69 0.796 . . . . 0.0 112.218 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -65.92 -37.3 85.71 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.522 1.129 . . . . 0.0 113.432 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -63.12 -29.08 70.51 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -176.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.33 -46.69 87.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.281 0.946 . . . . 0.0 111.661 172.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -64.71 -48.23 75.4 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.663 0.665 . . . . 0.0 112.218 172.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.9 -36.3 83.93 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -29.68 58.32 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 120.215 1.37 . . . . 0.0 112.001 173.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -50.94 69.82 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.924 0.784 . . . . 0.0 110.454 165.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -60.47 -41.85 95.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.393 0.677 . . . . 0.0 112.09 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -57.55 -51.15 70.66 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.054 1.341 . . . . 0.0 112.529 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -71.72 -38.3 70.52 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.765 -0.584 . . . . 0.0 111.789 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -55.79 -37.54 68.72 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.222 0.919 . . . . 0.0 111.244 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.58 -17.97 17.07 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.553 2.741 . . . . 0.0 115.295 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -128.14 -40.9 1.63 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.139 1.375 . . . . 0.0 113.437 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -75.29 -22.62 57.61 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.961 1.304 . . . . 0.0 113.006 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 32.3 t -128.49 -22.9 3.27 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.732 1.213 . . . . 0.0 113.331 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.312 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 127.035 2.134 . . . . 0.0 113.961 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.907 0.384 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.25 137.1 52.84 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.624 0.769 . . . . 0.0 112.071 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.7 t -56.75 -30.15 63.28 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.645 -1.284 . . . . 0.0 113.059 -177.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.89 -24.17 67.63 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -105.62 -29.52 10.08 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.469 1.108 . . . . 0.0 112.577 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -53.77 -48.54 69.64 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.55 1.14 . . . . 0.0 109.308 169.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -37.52 83.18 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.568 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.04 -50.0 67.91 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.979 1.311 . . . . 0.0 111.928 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.82 -41.15 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.701 0.682 . . . . 0.0 112.65 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 mtm105 -63.91 -42.42 97.42 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.518 -0.739 . . . . 0.0 110.304 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.04 -37.53 77.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.137 1.375 . . . . 0.0 113.266 172.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.97 78.12 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.218 -0.927 . . . . 0.0 111.253 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mmm -60.9 -36.53 79.47 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 80.8 p -83.19 -32.87 26.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -83.4 8.31 14.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.696 1.135 . . . . 0.0 114.037 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.94 18.76 76.51 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.358 0.98 . . . . 0.0 114.279 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 28.9 t -64.42 142.38 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.267 1.427 . . . . 0.0 110.662 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 75.3 m -58.38 112.98 1.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.049 0.94 . . . . 0.0 111.747 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -63.49 -25.92 68.48 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -172.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -70.22 -34.49 72.95 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.808 0.843 . . . . 0.0 113.27 171.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -62.28 -25.53 67.9 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 123.457 0.703 . . . . 0.0 112.588 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.16 -59.65 4.38 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.567 0.621 . . . . 0.0 111.167 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -63.11 -47.36 83.14 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.741 0.817 . . . . 0.0 112.838 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -66.36 -36.25 82.41 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -72.11 -35.6 69.2 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.063 -1.023 . . . . 0.0 112.017 171.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.28 -49.36 69.77 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.632 -0.668 . . . . 0.0 110.431 170.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.52 -45.85 92.47 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.923 1.289 . . . . 0.0 112.453 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.09 -47.1 68.81 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.871 1.268 . . . . 0.0 112.277 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -74.4 -46.36 40.7 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 175.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.1 -35.15 61.82 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 117.767 -1.111 . . . . 0.0 111.208 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.56 -23.34 10.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.286 2.234 . . . . 0.0 114.615 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -127.24 -38.12 2.0 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.131 1.772 . . . . 0.0 113.109 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -67.93 -21.27 65.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.768 1.227 . . . . 0.0 113.268 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 45.5 p -138.4 -29.32 0.81 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.92 0 C-N-CA 126.124 1.77 . . . . 0.0 113.923 -174.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.49 0.662 . . . . 0.0 111.366 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -69.2 131.67 45.3 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.168 0.987 . . . . 0.0 110.365 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -57.17 -25.62 59.27 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.138 -0.976 . . . . 0.0 113.301 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.66 -26.02 68.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.332 1.853 . . . . 0.0 114.885 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -99.54 -32.93 10.86 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.273 0.942 . . . . 0.0 112.845 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -53.9 -46.6 71.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.341 1.457 . . . . 0.0 110.119 171.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -32.4 73.93 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 118.666 -0.683 . . . . 0.0 112.476 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.5 mt -70.98 -50.0 39.18 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.813 1.245 . . . . 0.0 111.825 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.88 -42.32 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.874 -0.516 . . . . 0.0 111.773 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.0 ttp180 -62.58 -41.97 99.27 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.883 1.273 . . . . 0.0 112.506 175.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.8 -43.91 85.95 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.991 0.916 . . . . 0.0 112.636 170.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.97 97.81 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.549 0.613 . . . . 0.0 111.212 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.4 mmm -61.65 -44.25 97.32 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.1 p -81.71 -31.61 32.04 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -86.0 6.08 30.4 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.78 18.06 71.24 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.599 1.095 . . . . 0.0 115.492 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.1 t -68.44 149.85 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.465 1.506 . . . . 0.0 112.106 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.2 m -63.67 97.58 0.16 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.484 1.114 . . . . 0.0 112.695 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -60.07 -27.99 67.43 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.891 1.676 . . . . 0.0 113.862 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -61.25 -36.77 80.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.302 1.041 . . . . 0.0 113.576 169.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -65.64 -34.56 78.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 118.983 -0.532 . . . . 0.0 111.869 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -56.28 -49.37 74.42 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.744 0.702 . . . . 0.0 110.666 173.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -62.92 -53.16 58.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -61.96 -42.8 99.53 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 117.896 0.316 . . . . 0.0 111.35 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.13 -33.8 75.16 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.593 0.757 . . . . 0.0 112.253 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.32 -54.47 46.47 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.655 0.782 . . . . 0.0 111.054 173.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -69.24 -35.65 76.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 122.984 0.514 . . . . 0.0 112.182 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -55.18 -53.41 56.35 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.872 0.869 . . . . 0.0 112.199 167.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -65.79 -36.97 85.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 118.108 -0.949 . . . . 0.0 112.577 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -56.29 -50.69 70.68 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.647 1.567 . . . . 0.0 110.079 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -77.32 -12.73 59.99 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.81 -46.57 8.85 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.623 1.556 . . . . 0.0 113.035 167.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -83.29 -52.4 6.6 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.433 2.293 . . . . 0.0 113.313 -174.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -93.17 -35.04 13.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.087 0.955 . . . . 0.0 112.156 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 125.61 1.564 . . . . 0.0 112.389 171.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -62.41 137.45 58.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.631 0.772 . . . . 0.0 112.32 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 42.3 t -57.54 -30.53 65.27 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.124 -0.985 . . . . 0.0 112.832 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.63 -26.19 67.84 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -103.21 -31.59 10.03 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.254 1.022 . . . . 0.0 112.218 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -53.39 -49.15 67.85 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.851 1.26 . . . . 0.0 109.448 169.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -34.79 77.96 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.54 -48.62 71.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.534 1.134 . . . . 0.0 111.82 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.41 -41.5 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.629 -0.669 . . . . 0.0 112.802 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -62.65 -41.86 99.28 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.41 -0.807 . . . . 0.0 110.669 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.06 -41.75 84.02 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.589 1.156 . . . . 0.0 112.302 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.44 94.24 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 118.865 0.757 . . . . 0.0 111.405 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.9 mmm -63.05 -42.81 99.8 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 81.8 p -77.92 -28.12 49.6 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.8 t -74.09 -27.3 60.82 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.906 0.775 . . . . 0.0 112.474 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.54 26.6 46.18 Favored Glycine 0 CA--C 1.536 1.402 0 O-C-N 121.379 -0.826 . . . . 0.0 112.841 -169.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 t -63.08 151.35 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.175 1.79 . . . . 0.0 110.952 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 55.7 m -60.96 96.49 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.114 0.966 . . . . 0.0 112.848 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -61.43 -27.67 68.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.633 1.173 . . . . 0.0 113.432 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -66.13 -35.59 80.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.108 1.363 . . . . 0.0 114.202 170.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -67.63 -29.48 68.8 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.226 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.22 -59.34 4.51 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.738 0.699 . . . . 0.0 110.36 173.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.79 -48.31 79.66 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.449 1.1 . . . . 0.0 113.359 -176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -65.2 -41.62 94.35 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 117.995 0.361 . . . . 0.0 111.516 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -68.35 -36.36 79.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.745 0.702 . . . . 0.0 112.249 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -54.74 39.37 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.794 1.238 . . . . 0.0 110.512 174.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.81 -35.45 72.52 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.82 0.848 . . . . 0.0 111.872 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.3 -49.77 71.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.177 0.991 . . . . 0.0 112.324 167.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -67.7 -39.14 84.41 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.32 0.964 . . . . 0.0 112.739 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -55.34 -46.57 76.39 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.63 1.559 . . . . 0.0 109.932 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -81.71 3.83 24.12 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -105.93 -47.71 3.8 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.172 1.389 . . . . 0.0 112.733 165.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.12 -47.73 41.7 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.741 2.016 . . . . 0.0 112.572 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -117.12 -27.93 6.36 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -166.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.944 0 C-N-CA 125.35 1.46 . . . . 0.0 113.37 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 121.678 0.751 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.27 140.54 58.14 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.355 1.062 . . . . 0.0 111.167 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 90.1 p -57.88 -28.92 64.62 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.969 -1.082 . . . . 0.0 113.101 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.21 -28.66 69.83 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.751 2.02 . . . . 0.0 114.5 175.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -100.62 -32.5 10.72 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.372 0.987 . . . . 0.0 112.449 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.16 -47.03 72.41 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.741 1.216 . . . . 0.0 110.03 170.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -31.72 72.72 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.608 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.69 -46.63 65.6 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.792 1.237 . . . . 0.0 112.015 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.17 -40.95 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 120.26 -0.576 . . . . 0.0 112.004 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 32.1 mtm105 -60.57 -41.77 95.31 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.09 -1.006 . . . . 0.0 111.761 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.96 -40.64 81.08 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.44 1.096 . . . . 0.0 112.564 173.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.02 85.4 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.605 -0.684 . . . . 0.0 110.729 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mmm -61.74 -38.31 87.48 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -81.68 -32.27 31.82 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 14.7 t -77.97 -3.43 41.94 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.17 23.03 76.31 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 120.592 -1.318 . . . . 0.0 113.452 -175.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.97 145.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.742 1.617 . . . . 0.0 110.136 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 58.0 m -57.39 109.01 0.61 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.793 0.837 . . . . 0.0 111.936 -171.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -65.15 -27.21 68.57 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -172.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.0 -39.65 87.17 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.661 0.784 . . . . 0.0 112.639 171.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -59.91 -28.8 67.9 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.306 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -51.2 63.7 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.9 1.227 . . . . 0.0 111.477 173.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -66.54 -47.2 73.61 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.392 0.677 . . . . 0.0 112.692 173.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -63.51 -42.98 98.47 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -32.36 68.45 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.767 1.227 . . . . 0.0 112.724 173.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -54.02 47.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.438 1.017 . . . . 0.0 110.413 166.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.8 -38.53 91.43 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.439 -0.791 . . . . 0.0 112.237 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.34 -51.96 65.06 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.189 1.396 . . . . 0.0 112.241 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -71.57 -40.32 70.03 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.704 -0.622 . . . . 0.0 112.18 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -54.11 -39.11 66.11 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.318 0.963 . . . . 0.0 111.25 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -54.86 -26.04 32.71 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 128.0 2.52 . . . . 0.0 114.222 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -117.6 -42.47 2.86 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.413 1.485 . . . . 0.0 113.652 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -72.9 -24.2 60.8 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.311 1.444 . . . . 0.0 113.102 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 42.0 t -129.76 -27.55 2.32 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.587 1.155 . . . . 0.0 113.54 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 126.067 1.747 . . . . 0.0 113.248 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -63.76 131.89 49.26 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.022 0.529 . . . . 0.0 111.434 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.9 m -58.64 -24.04 60.32 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.951 -1.093 . . . . 0.0 113.828 -171.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.57 -31.61 72.45 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.206 1.802 . . . . 0.0 114.275 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -95.17 -31.78 13.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.361 0.982 . . . . 0.0 112.23 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -55.51 -47.87 75.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.984 1.714 . . . . 0.0 110.71 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -32.49 74.08 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.405 -0.81 . . . . 0.0 112.955 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.27 -47.77 63.65 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.712 1.205 . . . . 0.0 112.025 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.48 -40.54 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 O-C-N 121.455 -0.778 . . . . 0.0 112.484 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -63.48 -41.31 98.58 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.479 -0.763 . . . . 0.0 110.887 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.01 -38.24 75.79 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.554 1.142 . . . . 0.0 112.952 171.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.1 79.73 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 121.367 -0.833 . . . . 0.0 111.176 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.4 mmm -62.15 -40.49 96.14 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 81.4 p -78.26 -35.58 47.94 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 5.8 t -79.91 5.44 13.83 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.49 22.53 76.53 Favored Glycine 0 CA--C 1.537 1.408 0 O-C-N 121.089 -1.007 . . . . 0.0 113.936 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -65.11 143.93 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.44 1.496 . . . . 0.0 110.743 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 74.1 m -58.24 110.75 1.01 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.817 0.847 . . . . 0.0 112.102 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -65.36 -27.78 68.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -67.64 -42.84 81.63 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 118.592 0.633 . . . . 0.0 111.874 170.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -60.94 -28.33 68.88 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -55.86 21.18 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.998 0.817 . . . . 0.0 111.107 170.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -66.0 -47.36 74.76 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.32 1.048 . . . . 0.0 113.005 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.18 -37.52 87.6 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.39 -34.34 63.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.271 1.028 . . . . 0.0 111.887 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.15 -52.32 59.12 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.659 -0.651 . . . . 0.0 110.378 166.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -65.18 -36.77 85.25 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.295 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -57.9 -48.84 78.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.732 1.213 . . . . 0.0 112.351 174.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -69.47 -42.99 74.12 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.729 -0.607 . . . . 0.0 111.74 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -52.53 -43.43 65.14 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.089 0.859 . . . . 0.0 110.663 173.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -53.59 -21.64 7.03 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 128.533 2.733 . . . . 0.0 114.636 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -129.08 -37.83 1.66 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.853 1.661 . . . . 0.0 113.697 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -75.58 -28.2 58.86 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.129 1.372 . . . . 0.0 113.047 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 92.4 p -133.53 -16.04 2.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.413 1.085 . . . . 0.0 113.696 175.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.263 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 127.388 2.275 . . . . 0.0 114.403 177.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.3 t0 -66.82 137.62 56.74 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.927 1.291 . . . . 0.0 111.438 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -57.4 -29.08 63.81 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.942 -1.099 . . . . 0.0 112.317 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -60.67 -26.84 67.39 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.806 1.642 . . . . 0.0 115.372 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.421 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.6 m95 -102.63 -32.06 10.07 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.277 0.944 . . . . 0.0 112.575 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.5 -47.27 70.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.27 1.428 . . . . 0.0 110.001 170.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -35.16 79.89 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.499 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -67.63 -50.4 58.22 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.505 1.122 . . . . 0.0 111.688 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.71 -42.26 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.793 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 ttp-105 -61.55 -41.65 97.68 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.415 -0.803 . . . . 0.0 112.143 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.11 -40.72 81.93 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.578 1.151 . . . . 0.0 113.088 171.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.43 86.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.469 1.031 . . . . 0.0 111.389 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.2 mmm -62.71 -40.65 97.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.5 p -80.15 -37.27 33.82 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -84.13 5.81 24.78 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.17 17.81 80.17 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.51 1.052 . . . . 0.0 114.996 173.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 t -64.41 150.27 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.187 1.795 . . . . 0.0 111.762 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -61.21 96.61 0.05 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.842 1.257 . . . . 0.0 112.921 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -62.95 -25.36 68.32 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.498 1.119 . . . . 0.0 113.622 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -64.06 -34.55 78.27 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.076 1.35 . . . . 0.0 114.232 169.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -67.22 -32.33 73.32 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 118.879 -0.582 . . . . 0.0 111.899 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.57 -59.55 4.32 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.392 0.677 . . . . 0.0 110.855 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -61.53 -48.08 82.68 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.227 1.011 . . . . 0.0 113.214 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -65.9 -42.36 90.32 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.71 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -66.39 -36.32 82.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.063 0.847 . . . . 0.0 112.068 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.82 39.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.981 1.312 . . . . 0.0 110.635 174.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -69.3 -35.44 76.0 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.455 0.702 . . . . 0.0 112.281 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -54.33 46.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.669 169.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -64.75 -38.59 91.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.941 1.246 . . . . 0.0 112.584 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -54.75 -47.2 74.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 120.422 1.465 . . . . 0.0 109.912 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -76.67 -30.32 56.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -76.39 -41.29 48.4 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 121.075 1.761 . . . . 0.0 112.338 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -81.6 -50.51 9.26 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.051 2.14 . . . . 0.0 113.287 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 m -109.86 -27.5 9.24 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -171.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . 0.264 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 126.618 1.967 . . . . 0.0 112.598 175.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.47 0.565 0 CA-C-O 120.74 0.305 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -63.79 139.61 58.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.857 0.863 . . . . 0.0 112.548 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -58.69 -30.16 67.18 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.796 -1.19 . . . . 0.0 113.611 -175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -64.33 -25.45 68.04 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.281 1.832 . . . . 0.0 114.837 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -103.5 -31.05 10.15 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.146 0.978 . . . . 0.0 112.311 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.68 -49.35 68.18 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.287 1.035 . . . . 0.0 109.013 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -34.37 75.83 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.03 -48.36 68.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.009 1.324 . . . . 0.0 112.265 176.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -66.57 -41.83 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.428 -0.795 . . . . 0.0 112.446 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -65.91 -39.01 90.18 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.405 -0.809 . . . . 0.0 110.714 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.99 -45.79 86.23 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.014 0.926 . . . . 0.0 112.37 170.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.05 99.47 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.664 0.665 . . . . 0.0 111.711 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 2.6 mmm -62.93 -43.46 98.75 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 47.3 p -81.78 -31.62 31.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -86.9 4.24 42.25 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.88 21.49 59.34 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.45 1.024 . . . . 0.0 115.554 174.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 25.2 t -72.74 150.09 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.816 1.246 . . . . 0.0 112.127 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 51.0 m -59.16 102.23 0.12 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.948 1.299 . . . . 0.0 112.956 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -59.48 -33.81 71.8 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.067 1.347 . . . . 0.0 113.169 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -64.44 -36.21 83.43 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.045 1.338 . . . . 0.0 113.789 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -64.6 -33.41 75.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 118.828 -0.606 . . . . 0.0 111.87 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.44 -48.62 78.66 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.769 0.713 . . . . 0.0 110.715 173.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -63.62 -52.46 60.74 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -63.22 -40.64 98.03 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 117.857 0.299 . . . . 0.0 111.579 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -70.0 -32.96 71.4 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.666 -0.646 . . . . 0.0 112.323 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.69 -53.56 56.8 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.851 0.75 . . . . 0.0 110.909 172.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.24 -37.71 86.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.606 0.762 . . . . 0.0 112.035 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.64 -52.61 64.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.664 0.785 . . . . 0.0 112.806 171.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.73 -39.99 95.82 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.432 1.014 . . . . 0.0 111.663 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -56.77 -51.5 68.66 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.887 1.221 . . . . 0.0 111.025 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -78.69 -3.6 44.92 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -48.0 4.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.603 1.161 . . . . 0.0 112.616 164.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -43.97 16.0 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.21 1.804 . . . . 0.0 113.623 -169.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.4 t -98.17 -30.19 12.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.442 1.097 . . . . 0.0 111.86 173.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.83 0 C-N-CA 125.64 1.576 . . . . 0.0 111.859 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.467 0.375 0 CA-C-O 120.864 0.364 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -66.72 138.23 57.25 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.384 0.674 . . . . 0.0 112.065 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -58.31 -28.37 64.97 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.894 -1.128 . . . . 0.0 113.552 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.22 -24.04 65.79 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.126 1.77 . . . . 0.0 114.808 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -103.45 -32.06 9.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.936 0.894 . . . . 0.0 112.731 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.01 -46.1 68.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.419 1.487 . . . . 0.0 109.892 170.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -34.82 78.83 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.224 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.14 -48.05 63.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.881 1.273 . . . . 0.0 111.985 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.18 -41.57 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 O-C-N 121.723 -0.611 . . . . 0.0 112.169 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -63.67 -39.68 94.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.734 1.213 . . . . 0.0 112.987 174.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -61.12 -40.62 94.48 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.751 1.22 . . . . 0.0 113.098 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.6 -48.28 75.51 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.477 -0.764 . . . . 0.0 111.665 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 6.3 mmm -57.37 -44.98 84.85 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.709 0.403 . . . . 0.0 111.999 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 44.2 p -77.73 -30.76 51.82 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 3.6 t -84.83 7.86 19.34 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.88 22.16 78.41 Favored Glycine 0 CA--C 1.535 1.331 0 O-C-N 121.072 -1.017 . . . . 0.0 114.906 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.46 147.04 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.306 1.443 . . . . 0.0 111.071 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 68.3 m -58.19 111.58 1.25 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.971 0.908 . . . . 0.0 112.405 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -62.27 -31.1 71.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.491 1.117 . . . . 0.0 113.341 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -69.28 -37.06 77.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.092 0.957 . . . . 0.0 113.358 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -63.1 -29.38 70.75 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.157 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.91 -49.1 76.62 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 119.233 0.924 . . . . 0.0 111.406 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -64.91 -47.01 79.3 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 171.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.02 -37.26 87.04 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -30.29 56.93 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.699 1.136 . . . . 0.0 112.079 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -50.94 65.7 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.509 -0.744 . . . . 0.0 109.772 165.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.69 -44.62 95.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.002 0.921 . . . . 0.0 111.955 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -52.98 -48.17 67.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.415 1.486 . . . . 0.0 112.113 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -73.02 -43.13 62.47 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.662 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -54.61 -40.43 68.89 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.971 1.26 . . . . 0.0 111.516 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -54.06 -29.75 45.42 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.141 2.576 . . . . 0.0 113.728 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -116.89 -38.87 3.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.114 1.365 . . . . 0.0 113.874 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -74.22 -26.0 59.99 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.182 1.393 . . . . 0.0 113.184 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -131.43 -28.86 1.83 Allowed 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.924 1.69 . . . . 0.0 111.932 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 120.776 0.322 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' ASP . . . . . 0.409 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 7.1 t0 -63.85 135.93 56.98 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.926 0.89 . . . . 0.0 112.187 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 46.8 t -56.55 -29.38 61.9 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.88 -1.138 . . . . 0.0 112.614 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -64.18 -22.99 67.15 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' TRP . . . . . 0.409 ' CD1' ' HB3' ' D' ' 11' ' ' ASP . 2.0 m95 -106.54 -31.82 8.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.354 1.062 . . . . 0.0 112.761 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -51.93 -45.54 64.35 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.404 1.481 . . . . 0.0 110.041 168.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -36.19 82.81 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.325 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.87 -48.29 66.5 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.852 1.261 . . . . 0.0 111.79 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.56 -41.32 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.859 -0.526 . . . . 0.0 112.219 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -64.37 -39.4 93.8 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.975 -1.078 . . . . 0.0 112.981 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -59.61 -41.29 90.02 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.962 1.305 . . . . 0.0 112.594 170.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.57 73.96 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.627 -0.671 . . . . 0.0 112.148 174.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 5.3 mmm -58.55 -40.08 82.02 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.932 0.493 . . . . 0.0 112.107 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 41.4 p -79.94 -32.76 40.03 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -83.07 7.96 14.33 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.68 21.92 79.33 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 120.991 -1.068 . . . . 0.0 114.649 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 19.9 t -64.27 146.81 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.921 1.289 . . . . 0.0 111.126 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 71.8 m -56.82 112.34 1.28 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.306 1.042 . . . . 0.0 111.738 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -64.07 -26.89 68.75 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -70.74 -37.56 73.48 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.631 0.772 . . . . 0.0 112.639 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -59.56 -28.17 66.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.976 0.807 . . . . 0.0 112.832 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.81 -57.36 11.88 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.752 -0.642 . . . . 0.0 111.336 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -63.85 -45.1 91.01 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.37 -41.24 96.82 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.528 0.604 . . . . 0.0 111.74 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -73.23 -36.78 66.52 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.201 0.6 . . . . 0.0 112.298 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -52.79 59.67 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.122 0.569 . . . . 0.0 110.401 171.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -63.25 -41.15 99.03 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 118.634 -0.698 . . . . 0.0 111.52 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -56.57 -44.68 81.22 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.013 0.925 . . . . 0.0 112.768 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -72.38 -40.99 66.84 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.121 -0.987 . . . . 0.0 112.723 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -55.77 -41.94 74.78 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.876 1.216 . . . . 0.0 110.815 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -54.1 -31.29 51.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 128.029 2.532 . . . . 0.0 113.327 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -107.77 -42.04 4.84 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.908 1.683 . . . . 0.0 113.869 -175.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -82.46 -28.81 31.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.191 1.796 . . . . 0.0 113.218 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -122.15 -33.64 3.47 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.864 1.266 . . . . 0.0 112.884 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 C-N-CA 125.924 1.69 . . . . 0.0 113.592 173.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.471 0.594 0 CA-C-O 120.824 0.345 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 7.4 t0 -68.0 138.37 55.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.802 0.841 . . . . 0.0 112.444 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.8 t -55.93 -30.24 61.34 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.879 -1.138 . . . . 0.0 112.868 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -63.43 -25.44 68.28 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.402 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.3 m95 -105.29 -30.05 9.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.463 1.105 . . . . 0.0 112.209 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -53.35 -49.05 67.93 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.602 1.161 . . . . 0.0 109.155 169.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -36.15 79.83 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.838 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.49 -48.07 71.01 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.151 1.381 . . . . 0.0 111.959 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.89 -43.01 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.7 mtm105 -62.89 -41.66 99.5 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.51 -0.744 . . . . 0.0 110.024 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.07 -40.93 82.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.489 1.116 . . . . 0.0 113.207 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.7 91.04 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.454 1.024 . . . . 0.0 111.086 177.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mmm -64.66 -42.2 95.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.8 p -81.46 -34.0 31.68 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 t -84.92 8.23 18.29 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.09 18.96 78.2 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.489 1.042 . . . . 0.0 115.072 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.34 150.33 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.787 1.635 . . . . 0.0 111.699 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.8 m -57.62 101.55 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.723 1.209 . . . . 0.0 112.909 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -61.99 -28.87 69.87 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.969 1.307 . . . . 0.0 113.37 -177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.35 -34.93 79.08 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.118 1.367 . . . . 0.0 114.431 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -63.71 -31.86 73.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.144 0.429 . . . . 0.0 111.867 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -57.64 11.47 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.443 0.565 . . . . 0.0 110.868 177.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.49 -50.77 68.36 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.874 0.869 . . . . 0.0 113.103 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -62.27 -44.74 95.83 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 119.252 -0.404 . . . . 0.0 111.319 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -68.34 -32.53 72.7 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.21 0.914 . . . . 0.0 112.311 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -56.42 21.35 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.542 0.737 . . . . 0.0 111.645 172.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.89 -32.35 69.3 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.738 0.415 . . . . 0.0 112.014 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -56.74 -52.04 66.51 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.218 1.007 . . . . 0.0 112.599 167.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -65.76 -39.46 91.08 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.19 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -55.29 -49.94 70.83 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 120.052 1.296 . . . . 0.0 110.024 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -78.04 -0.99 30.11 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -46.03 4.22 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.863 1.665 . . . . 0.0 112.136 168.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.97 -48.46 13.33 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.32 2.248 . . . . 0.0 113.269 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -97.58 -36.42 10.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.141 0.976 . . . . 0.0 112.265 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 125.117 1.367 . . . . 0.0 112.383 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 121.213 0.53 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -64.98 132.34 49.0 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.966 0.906 . . . . 0.0 110.864 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -58.81 -24.69 62.28 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.923 -1.111 . . . . 0.0 113.333 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.31 -28.12 68.98 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.619 1.968 . . . . 0.0 114.682 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -98.64 -32.58 11.34 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.404 1.002 . . . . 0.0 112.671 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -55.02 -46.9 75.28 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.25 1.42 . . . . 0.0 110.303 171.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -31.69 73.0 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 118.486 -0.769 . . . . 0.0 112.824 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.3 mt -70.63 -50.01 41.41 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.584 1.154 . . . . 0.0 111.789 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.42 -40.82 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.823 -0.548 . . . . 0.0 111.739 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -65.35 -37.76 88.02 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.178 -0.951 . . . . 0.0 112.418 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.93 -41.02 81.84 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.675 0.79 . . . . 0.0 111.948 168.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -44.53 75.63 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.927 1.24 . . . . 0.0 111.574 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 8.6 mmm -62.02 -40.81 96.97 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 76.1 p -84.18 -30.74 25.56 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -88.31 7.98 29.67 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.19 24.17 72.05 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.214 0.911 . . . . 0.0 114.91 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.0 t -74.61 153.79 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.512 1.525 . . . . 0.0 112.098 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 46.2 m -65.54 89.93 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.636 1.174 . . . . 0.0 112.866 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -23.24 66.8 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -62.58 -37.77 87.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.167 0.987 . . . . 0.0 113.317 168.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -64.53 -35.02 79.6 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 119.17 -0.443 . . . . 0.0 111.036 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -49.61 75.76 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.758 0.708 . . . . 0.0 111.493 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.07 -52.24 56.79 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -62.88 -42.32 99.73 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 117.603 0.183 . . . . 0.0 111.35 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -69.34 -32.66 71.88 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.333 1.053 . . . . 0.0 112.46 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -56.73 17.63 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.947 0.794 . . . . 0.0 110.452 171.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -67.81 -33.79 75.47 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.07 0.548 . . . . 0.0 112.027 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -56.93 -54.47 46.2 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.041 0.936 . . . . 0.0 112.733 167.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -65.15 -37.58 87.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.299 0.954 . . . . 0.0 112.194 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -56.21 -49.97 72.58 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.921 1.237 . . . . 0.0 110.693 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -77.19 -2.1 32.81 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -47.47 4.48 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.844 1.657 . . . . 0.0 112.207 170.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.46 -56.49 4.58 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.531 1.933 . . . . 0.0 112.561 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.3 t -91.11 -34.48 15.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.036 0.934 . . . . 0.0 112.195 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.988 0 C-N-CA 124.68 1.192 . . . . 0.0 111.881 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 121.448 0.642 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -69.0 132.33 46.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.031 0.932 . . . . 0.0 110.623 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 18.5 m -57.82 -24.85 59.31 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.934 -1.104 . . . . 0.0 113.534 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.96 -27.12 69.18 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.196 1.798 . . . . 0.0 114.745 173.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -98.46 -32.41 11.5 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.02 0.928 . . . . 0.0 112.738 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -54.21 -47.44 72.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.726 1.21 . . . . 0.0 110.072 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -33.14 75.19 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.187 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 67.4 mt -69.54 -47.42 63.76 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.108 1.363 . . . . 0.0 111.934 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -67.02 -40.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.79 -0.569 . . . . 0.0 112.033 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -60.55 -43.89 96.73 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.305 -0.872 . . . . 0.0 111.288 171.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.81 -38.66 75.94 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.062 0.945 . . . . 0.0 112.931 172.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.8 80.95 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.111 -0.993 . . . . 0.0 111.137 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 2.4 mmm -62.05 -35.82 79.77 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 82.4 p -89.07 -32.7 17.43 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.725 1.379 . . . . 0.0 114.725 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -85.59 8.36 19.72 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.9 19.69 79.81 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.498 1.047 . . . . 0.0 114.684 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 32.3 t -67.12 147.11 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 126.041 1.736 . . . . 0.0 111.588 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 58.9 m -58.92 111.76 1.41 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.996 0.918 . . . . 0.0 112.123 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -65.93 -31.67 72.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.347 0.659 . . . . 0.0 112.546 -174.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -65.77 -37.33 86.05 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.821 0.848 . . . . 0.0 113.18 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -62.77 -29.24 70.54 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -55.94 27.87 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.163 0.892 . . . . 0.0 110.904 173.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -65.14 -49.8 68.48 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.535 0.734 . . . . 0.0 112.818 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -65.69 -37.15 85.66 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -73.43 -32.32 64.33 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.567 1.076 . . . . 0.0 112.229 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -54.67 40.58 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.625 -0.672 . . . . 0.0 110.173 167.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -60.36 -38.19 83.05 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.572 -0.727 . . . . 0.0 111.78 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -59.87 -49.77 76.4 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.1 1.36 . . . . 0.0 113.36 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -70.53 -40.66 73.32 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.167 -0.958 . . . . 0.0 111.786 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -53.78 -39.24 65.26 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.288 1.035 . . . . 0.0 111.249 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -53.76 -25.44 18.88 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 128.603 2.761 . . . . 0.0 114.494 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -126.54 -36.45 2.26 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.045 1.338 . . . . 0.0 113.007 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -39.65 81.28 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.755 0.822 . . . . 0.0 112.492 170.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -127.81 -22.85 3.48 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -172.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 C-N-CA 126.16 1.784 . . . . 0.0 114.515 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 C--O 1.234 0.246 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -61.08 139.27 58.12 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.42 0.629 . . . . 0.0 112.357 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -56.33 -28.65 59.66 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.041 -1.037 . . . . 0.0 113.602 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.03 -25.5 67.09 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.008 1.723 . . . . 0.0 115.051 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -102.47 -32.06 10.15 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.1 0.96 . . . . 0.0 112.184 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.26 -47.88 71.79 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.415 1.486 . . . . 0.0 110.347 170.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -36.16 79.84 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 118.874 -0.584 . . . . 0.0 112.1 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.34 -48.03 65.93 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.963 1.305 . . . . 0.0 112.227 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.52 -41.69 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.751 -0.593 . . . . 0.0 112.323 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -64.85 -39.96 94.38 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.519 -0.738 . . . . 0.0 110.554 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.04 -40.32 80.61 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.52 1.128 . . . . 0.0 113.01 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.35 89.46 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.995 0.816 . . . . 0.0 110.976 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mmm -62.23 -40.78 97.28 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p -80.38 -32.07 37.68 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 4.0 t -83.42 7.3 17.24 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.74 18.09 75.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.59 1.09 . . . . 0.0 114.434 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.93 145.49 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.542 1.537 . . . . 0.0 111.203 -177.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 43.6 m -56.82 106.55 0.31 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.671 1.189 . . . . 0.0 112.42 -174.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -64.51 -27.94 69.32 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -66.64 -37.42 84.79 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.841 0.856 . . . . 0.0 113.141 172.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.86 -29.01 70.25 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.894 -0.574 . . . . 0.0 112.383 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -55.89 27.27 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.235 0.925 . . . . 0.0 110.897 172.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.81 -49.4 68.4 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.621 0.769 . . . . 0.0 112.927 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -67.26 -35.93 80.53 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -74.74 -31.41 61.8 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.603 1.092 . . . . 0.0 112.126 174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -52.51 61.63 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.51 -0.744 . . . . 0.0 110.049 166.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.77 -40.24 91.79 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.307 -0.854 . . . . 0.0 112.002 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -59.71 -45.27 92.64 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.078 1.351 . . . . 0.0 113.746 176.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -71.17 -45.16 64.06 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.301 -0.874 . . . . 0.0 111.276 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -53.29 -36.3 61.06 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.295 173.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -53.99 -25.12 19.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 129.73 3.212 . . . . 0.0 114.787 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -126.36 -38.94 2.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.642 1.577 . . . . 0.0 112.696 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -35.45 81.06 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.131 0.972 . . . . 0.0 112.092 175.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -129.64 -24.05 2.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.969 0 C-N-CA 125.936 1.694 . . . . 0.0 113.963 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 112.238 -0.345 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -78.68 55.54 1.69 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.851 1.66 . . . . 0.0 113.356 -176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -70.2 157.1 38.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.829 1.251 . . . . 0.0 113.376 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.7 mmt 64.87 166.35 0.17 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.321 2.248 . . . . 0.0 115.964 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -83.93 9.54 11.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.735 1.614 . . . . 0.0 113.424 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -161.57 156.58 23.5 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.47 1.508 . . . . 0.0 111.574 -159.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -150.43 50.15 0.89 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.969 0.908 . . . . 0.0 112.81 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.88 11.64 60.99 Favored Glycine 0 CA--C 1.54 1.644 0 O-C-N 121.125 -0.984 . . . . 0.0 114.226 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -150.52 140.71 22.18 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.697 2.399 . . . . 0.0 109.43 -168.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.85 127.93 34.29 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.638 0.732 . . . . 0.0 111.185 174.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.413 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 10.2 t0 -66.7 138.98 57.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.107 1.363 . . . . 0.0 111.519 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 t -57.08 -29.29 63.34 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.013 -1.054 . . . . 0.0 112.482 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.43 -29.43 69.94 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.425 1.49 . . . . 0.0 114.952 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.413 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.1 m95 -99.68 -31.82 11.37 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.168 0.895 . . . . 0.0 112.114 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -53.48 -47.63 69.62 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.193 1.397 . . . . 0.0 109.628 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -33.01 74.75 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 118.52 -0.752 . . . . 0.0 112.657 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 mt -67.77 -46.21 72.68 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.586 1.154 . . . . 0.0 111.802 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.4 p -69.59 -42.74 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -58.82 -42.67 89.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.56 1.144 . . . . 0.0 111.583 171.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.37 -42.75 87.68 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.453 1.101 . . . . 0.0 112.842 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.42 99.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.752 0.706 . . . . 0.0 110.986 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -63.0 -42.36 99.83 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.4 p -77.73 -29.66 51.26 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -73.2 -24.77 60.56 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.485 0.714 . . . . 0.0 112.358 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.96 25.12 56.61 Favored Glycine 0 CA--C 1.536 1.374 0 O-C-N 121.38 -0.825 . . . . 0.0 112.666 -170.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.2 t -62.52 147.08 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.537 1.535 . . . . 0.0 110.516 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.8 m -60.44 99.26 0.08 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.6 1.16 . . . . 0.0 112.488 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -63.37 -24.76 67.99 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.4 1.08 . . . . 0.0 113.479 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -64.88 -36.83 85.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.839 1.256 . . . . 0.0 114.17 168.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -64.66 -32.13 73.66 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.982 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.29 -55.58 26.9 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.574 0.625 . . . . 0.0 110.534 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.87 -49.83 71.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.019 0.928 . . . . 0.0 113.162 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -62.05 -44.53 96.48 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 117.691 0.223 . . . . 0.0 111.555 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -68.24 -33.06 73.7 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.55 0.74 . . . . 0.0 112.33 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -57.77 10.72 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.038 0.935 . . . . 0.0 111.024 171.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -67.62 -34.4 76.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.7 0.4 . . . . 0.0 111.779 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -56.47 -53.2 60.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.083 0.953 . . . . 0.0 112.717 169.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -67.34 -37.38 83.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.22 0.918 . . . . 0.0 112.67 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -55.93 -48.54 75.53 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.318 1.417 . . . . 0.0 110.643 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -78.41 -0.42 29.14 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.5 -45.54 4.82 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.232 1.413 . . . . 0.0 112.533 168.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -82.47 -47.13 12.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.66 2.384 . . . . 0.0 113.44 -176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.1 t -99.91 -41.93 7.0 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.118 0.967 . . . . 0.0 112.323 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.56 37.97 28.96 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.017 1.327 . . . . 0.0 112.965 -175.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -63.43 163.38 10.94 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.734 1.613 . . . . 0.0 112.604 168.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -142.62 158.31 43.79 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.413 1.485 . . . . 0.0 111.387 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.709 1.604 . . . . 0.0 112.586 178.803 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t 62.51 -59.72 0.13 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.011 2.524 . . . . 0.0 115.961 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 2.6 m80 54.66 20.32 2.89 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.715 2.006 . . . . 0.0 114.833 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.7 mtm 56.46 27.2 11.81 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.117 1.767 . . . . 0.0 114.238 -170.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -56.5 110.32 0.76 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.512 1.125 . . . . 0.0 111.318 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . 0.275 57.8 m-85 59.13 -4.23 0.08 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 117.755 2.502 . . . . 0.0 117.755 -172.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -82.55 9.87 8.48 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.46 1.504 . . . . 0.0 112.581 162.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.02 -39.62 0.46 Allowed Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.499 1.047 . . . . 0.0 113.588 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -76.4 146.56 38.6 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 117.803 0.802 . . . . 0.0 111.689 173.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -136.65 145.94 45.41 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.899 1.679 . . . . 0.0 110.778 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -66.7 140.35 57.88 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.493 0.664 . . . . 0.0 112.141 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 90.3 p -59.79 -26.3 65.63 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 120.706 -1.246 . . . . 0.0 114.162 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -68.78 -29.92 68.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.364 1.866 . . . . 0.0 114.023 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -97.49 -30.58 12.81 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.183 0.901 . . . . 0.0 111.778 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -53.65 -50.16 66.36 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.687 1.595 . . . . 0.0 109.89 172.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -31.67 72.99 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.9 mt -69.77 -47.81 61.6 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.23 . . . . 0.0 112.019 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.61 -41.87 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.673 -0.642 . . . . 0.0 112.14 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -63.53 -41.84 98.45 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.684 -0.635 . . . . 0.0 110.083 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.57 -42.81 83.84 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.659 1.184 . . . . 0.0 112.289 171.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.47 96.02 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.262 0.937 . . . . 0.0 111.23 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -62.75 -42.49 99.7 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 77.1 p -86.93 -28.77 22.56 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -88.34 8.39 27.8 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.75 22.48 72.08 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.567 1.08 . . . . 0.0 114.958 173.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 43.0 t -73.06 148.47 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.97 1.308 . . . . 0.0 111.706 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m -58.92 104.13 0.21 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.866 1.266 . . . . 0.0 112.998 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -58.95 -33.26 70.41 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.023 1.329 . . . . 0.0 113.127 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.41 -34.75 77.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.244 1.418 . . . . 0.0 114.151 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -65.9 -31.17 71.96 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.907 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.37 -54.62 41.39 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.23 0.612 . . . . 0.0 110.947 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -64.95 -49.8 68.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.766 0.826 . . . . 0.0 112.917 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -66.11 -37.61 86.15 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -70.03 -33.92 72.6 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.013 0.824 . . . . 0.0 111.692 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -54.15 49.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.4 0.68 . . . . 0.0 110.445 169.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -61.41 -41.98 98.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.347 0.659 . . . . 0.0 111.865 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -56.51 19.27 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.609 0.764 . . . . 0.0 111.71 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -65.41 -37.45 87.0 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.448 1.022 . . . . 0.0 112.42 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -55.17 -49.7 71.18 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.052 1.296 . . . . 0.0 110.326 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -80.44 -4.04 52.18 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -46.75 5.19 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.081 1.31 . . . . 0.0 112.59 166.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -77.19 -48.33 17.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.739 2.016 . . . . 0.0 113.106 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -98.64 -30.52 12.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.964 0.906 . . . . 0.0 112.267 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.25 53.64 7.53 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.64 1.576 . . . . 0.0 111.849 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -65.66 -27.34 68.3 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -164.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 47.07 38.19 6.19 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.029 1.732 . . . . 0.0 114.836 174.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 . . . . . 0 C--O 1.254 1.333 0 C-N-CA 125.905 1.682 . . . . 0.0 114.505 -174.231 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -153.14 163.66 39.46 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.305 1.442 . . . . 0.0 111.602 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -65.18 136.25 56.43 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.608 1.163 . . . . 0.0 112.588 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -81.07 154.44 26.82 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.902 1.681 . . . . 0.0 113.261 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -85.3 3.1 41.22 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.64 1.576 . . . . 0.0 114.382 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -152.57 150.57 29.68 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.125 0.97 . . . . 0.0 112.775 -166.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -136.57 27.48 3.06 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.201 1.4 . . . . 0.0 113.188 -170.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.2 22.87 77.15 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 121.049 -1.032 . . . . 0.0 113.716 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.28 120.66 8.44 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.492 1.917 . . . . 0.0 109.748 -169.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.71 127.38 32.47 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.969 0.89 . . . . 0.0 109.997 172.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -85.0 20.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -153.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.6 t 64.2 -35.77 0.17 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 130.039 3.336 . . . . 0.0 115.119 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.64 -26.02 67.62 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.503 1.921 . . . . 0.0 112.506 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -97.15 -32.02 12.16 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.371 1.068 . . . . 0.0 112.326 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.88 -47.47 80.39 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.156 1.783 . . . . 0.0 110.182 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -33.06 74.66 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.09 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.5 -49.81 44.48 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.946 1.298 . . . . 0.0 112.384 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.48 -42.45 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.527 -0.733 . . . . 0.0 111.839 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -62.41 -42.68 99.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.516 1.126 . . . . 0.0 112.546 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -58.23 -41.04 83.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.062 1.345 . . . . 0.0 113.357 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.22 81.78 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.577 -0.702 . . . . 0.0 111.171 174.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 6.2 mmm -58.39 -40.53 82.61 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 73.6 p -78.98 -31.7 44.99 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.7 t -81.72 5.45 18.42 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.34 20.65 79.57 Favored Glycine 0 CA--C 1.536 1.38 0 O-C-N 121.358 -0.839 . . . . 0.0 114.379 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.01 144.93 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.983 1.313 . . . . 0.0 110.741 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 70.5 m -59.12 111.19 1.24 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.016 0.927 . . . . 0.0 112.186 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -61.55 -29.21 69.86 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -174.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -69.8 -34.36 73.61 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.84 0.856 . . . . 0.0 112.889 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -63.38 -30.6 71.7 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 117.775 -1.107 . . . . 0.0 111.782 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -59.19 -45.21 91.67 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.859 1.209 . . . . 0.0 111.859 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -64.53 -47.14 79.95 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.795 0.725 . . . . 0.0 112.472 171.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -65.09 -39.43 93.17 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.38 -40.34 93.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.481 1.513 . . . . 0.0 111.52 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -53.82 51.72 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 117.944 0.338 . . . . 0.0 110.739 171.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -62.06 -42.01 98.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.438 0.695 . . . . 0.0 112.248 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.46 -46.58 83.48 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.058 1.743 . . . . 0.0 112.918 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -74.52 -40.33 61.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.366 0.985 . . . . 0.0 112.578 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -54.32 -34.24 60.59 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.429 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -17.41 7.66 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 128.793 2.837 . . . . 0.0 115.283 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -132.14 -37.57 1.12 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.169 1.388 . . . . 0.0 113.156 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -70.41 -25.04 63.05 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.78 1.232 . . . . 0.0 113.213 175.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 43.6 t -132.77 -20.73 2.23 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.897 1.279 . . . . 0.0 113.468 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.294 0.0 OUTLIER 66.47 30.61 8.57 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.663 1.985 . . . . 0.0 114.055 -178.493 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -63.89 135.59 56.67 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.529 0.732 . . . . 0.0 109.936 159.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -155.03 156.69 36.39 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.762 0.825 . . . . 0.0 112.874 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.918 1.687 . . . . 0.0 113.722 -173.78 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 112.194 -0.362 . . . . 0.0 112.194 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m 57.76 32.25 21.62 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.588 1.555 . . . . 0.0 114.876 176.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.7 157.81 37.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.569 1.148 . . . . 0.0 112.866 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -74.33 -14.35 60.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.959 1.304 . . . . 0.0 114.196 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -68.42 139.12 55.77 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.394 1.077 . . . . 0.0 112.593 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -99.78 162.36 13.05 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.309 1.444 . . . . 0.0 111.672 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -127.25 13.83 7.18 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.948 1.699 . . . . 0.0 113.162 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.62 -30.39 6.69 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 126.396 1.951 . . . . 0.0 113.236 -172.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -73.12 121.36 20.11 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.736 1.268 . . . . 0.0 111.378 173.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -86.95 144.43 26.94 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.71 1.204 . . . . 0.0 110.858 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.39 132.02 46.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.725 0.81 . . . . 0.0 112.007 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -57.89 -25.98 61.52 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.607 -1.308 . . . . 0.0 113.717 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.16 -23.27 67.26 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.112 1.765 . . . . 0.0 115.241 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -104.79 -31.65 9.22 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.383 1.073 . . . . 0.0 112.504 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.47 -44.73 72.83 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.007 1.323 . . . . 0.0 110.691 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -36.62 82.65 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.858 -0.591 . . . . 0.0 112.403 177.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.54 -48.42 69.75 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.763 1.225 . . . . 0.0 111.856 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.33 -41.47 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -62.78 -41.49 99.27 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.499 -0.75 . . . . 0.0 110.839 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.09 -39.06 77.62 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.399 1.08 . . . . 0.0 112.976 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.51 80.71 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.289 -0.882 . . . . 0.0 111.518 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.8 mmm -60.88 -38.9 87.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.42 0.288 . . . . 0.0 111.746 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 76.9 p -82.51 -33.39 28.3 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -84.62 8.26 17.44 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.44 21.22 78.67 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.301 0.953 . . . . 0.0 114.438 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.59 145.36 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.238 1.415 . . . . 0.0 111.082 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 49.8 m -58.14 109.1 0.69 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.28 1.032 . . . . 0.0 112.366 -174.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -63.73 -27.31 69.11 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -174.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -70.49 -37.0 74.14 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -64.43 -25.66 68.11 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-O 118.751 -0.643 . . . . 0.0 112.632 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -56.68 13.17 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.058 0.845 . . . . 0.0 110.455 170.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -64.62 -47.9 76.89 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.229 1.011 . . . . 0.0 112.821 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -64.73 -37.43 87.56 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -71.06 -36.09 72.15 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.136 -0.978 . . . . 0.0 112.052 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.16 -51.62 63.73 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.847 -0.533 . . . . 0.0 110.487 170.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.3 -38.1 89.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.181 0.992 . . . . 0.0 112.172 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -58.06 -48.42 80.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.725 1.21 . . . . 0.0 112.803 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -70.8 -41.14 72.01 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.367 -0.833 . . . . 0.0 112.284 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -54.77 -38.44 67.23 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.432 1.014 . . . . 0.0 111.115 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -54.48 -26.04 28.99 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 128.092 2.557 . . . . 0.0 114.55 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -121.01 -40.36 2.62 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.544 1.138 . . . . 0.0 113.433 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -72.85 -23.44 60.75 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.176 1.39 . . . . 0.0 113.008 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -130.4 -27.74 2.16 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.538 1.135 . . . . 0.0 113.299 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.79 26.0 15.84 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.279 1.832 . . . . 0.0 113.98 174.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -76.11 -30.98 58.45 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.034 1.334 . . . . 0.0 114.549 -174.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 54.55 25.9 6.73 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.308 1.843 . . . . 0.0 114.777 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.73 1.612 . . . . 0.0 113.916 -179.545 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.733 -0.547 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -68.99 154.82 41.41 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.092 0.957 . . . . 0.0 112.763 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.66 150.74 47.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.417 1.087 . . . . 0.0 113.028 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 tpp -139.08 131.7 28.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.187 1.395 . . . . 0.0 111.425 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -72.75 140.21 47.62 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -143.45 141.78 30.95 Favored 'General case' 0 N--CA 1.476 0.861 1 C-N-CA 132.013 4.125 . . . . 0.0 109.184 0.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -138.35 19.78 2.75 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.592 1.157 . . . . 0.0 114.07 -169.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.58 -31.24 8.45 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.907 1.718 . . . . 0.0 113.447 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.91 122.27 20.51 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.754 1.222 . . . . 0.0 111.042 173.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -73.79 128.02 34.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.082 0.468 . . . . 0.0 110.624 169.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -64.9 140.27 58.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.574 0.702 . . . . 0.0 111.749 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -59.44 -28.28 66.82 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 120.95 -1.094 . . . . 0.0 113.641 -173.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -64.44 -27.35 68.93 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.553 1.941 . . . . 0.0 114.184 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -101.3 -31.8 10.8 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.123 0.874 . . . . 0.0 112.776 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -53.79 -47.05 71.17 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.683 1.193 . . . . 0.0 109.71 170.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -33.33 75.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.644 -179.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -69.04 -47.82 64.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.678 1.191 . . . . 0.0 112.223 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.27 -41.78 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.76 -0.587 . . . . 0.0 111.913 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -64.73 -38.72 91.95 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.35 -0.844 . . . . 0.0 111.865 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.68 -39.89 86.03 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.839 1.256 . . . . 0.0 113.343 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.72 90.56 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 119.139 0.881 . . . . 0.0 110.604 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mmm -62.54 -41.93 99.21 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -79.1 -31.82 44.41 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -81.73 4.16 22.96 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.71 23.6 73.98 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 120.767 -1.208 . . . . 0.0 114.024 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.7 t -66.76 148.11 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.523 1.529 . . . . 0.0 110.665 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.8 m -61.52 102.13 0.22 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.707 0.803 . . . . 0.0 112.666 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -61.55 -28.72 69.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.866 1.266 . . . . 0.0 113.66 -176.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -64.99 -34.86 79.44 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.117 1.367 . . . . 0.0 114.063 171.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.57 -30.64 70.99 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.25 -54.21 43.15 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.77 0.428 . . . . 0.0 110.713 172.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -63.45 -49.37 73.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.926 0.89 . . . . 0.0 112.865 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.44 -40.3 95.47 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -69.88 -34.43 73.55 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.749 0.704 . . . . 0.0 112.128 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -55.91 27.96 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.584 0.753 . . . . 0.0 110.841 171.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -66.67 -37.64 85.2 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -53.44 -56.94 12.68 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.298 0.639 . . . . 0.0 111.758 169.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.72 -38.97 90.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.385 0.993 . . . . 0.0 112.162 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -56.36 -51.01 69.87 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.452 1.478 . . . . 0.0 110.838 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -76.74 -12.74 60.03 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -88.52 -48.0 7.91 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.968 1.307 . . . . 0.0 112.337 167.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -43.17 9.81 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.014 2.126 . . . . 0.0 113.312 -163.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -101.02 -26.01 13.86 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.567 1.147 . . . . 0.0 111.638 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.1 63.05 1.3 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.197 1.799 . . . . 0.0 111.144 169.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -62.09 -46.01 90.98 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.645 1.578 . . . . 0.0 114.424 -157.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 53.35 -166.69 0.07 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.704 1.602 . . . . 0.0 113.523 -170.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.186 1.794 . . . . 0.0 113.109 177.567 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -70.48 160.47 32.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.618 1.167 . . . . 0.0 113.078 176.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -150.62 158.56 44.3 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.357 1.463 . . . . 0.0 111.209 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 25.9 ptp -144.43 145.11 31.72 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.923 1.289 . . . . 0.0 111.336 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -94.5 165.42 12.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 113.132 -172.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -71.29 152.91 42.82 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.257 1.023 . . . . 0.0 112.233 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -137.81 14.14 2.91 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.737 1.615 . . . . 0.0 113.332 -172.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.08 -26.99 6.9 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.185 1.85 . . . . 0.0 112.84 -169.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -63.58 154.75 31.69 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.807 1.243 . . . . 0.0 111.977 169.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -135.65 137.43 41.85 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.768 1.627 . . . . 0.0 109.84 172.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -62.76 132.79 53.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.935 0.494 . . . . 0.0 111.763 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -58.5 -25.31 62.23 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.945 -1.097 . . . . 0.0 113.369 -173.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -61.28 -29.52 69.91 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.097 1.759 . . . . 0.0 114.778 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -99.21 -31.85 11.52 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.38 0.991 . . . . 0.0 112.147 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -53.8 -50.51 65.94 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.286 1.034 . . . . 0.0 109.492 170.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -31.97 72.65 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.64 -48.03 65.08 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.078 1.351 . . . . 0.0 111.886 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -65.83 -42.88 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 mtm105 -61.6 -42.26 98.62 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.852 0.861 . . . . 0.0 110.304 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.26 -40.96 83.18 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.702 1.201 . . . . 0.0 113.378 171.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.57 94.86 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 119.015 0.825 . . . . 0.0 111.134 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.5 mmm -64.84 -42.6 94.78 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -78.09 -32.81 50.81 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 5.4 t -82.24 3.42 27.51 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.06 22.24 74.07 Favored Glycine 0 CA--C 1.537 1.432 0 O-C-N 120.868 -1.145 . . . . 0.0 114.387 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 37.1 t -64.03 147.01 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.33 1.452 . . . . 0.0 110.68 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m -55.7 107.93 0.39 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.421 1.088 . . . . 0.0 112.592 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -63.85 -34.13 77.24 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.865 0.866 . . . . 0.0 112.026 -173.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -63.27 -39.65 95.19 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.161 1.384 . . . . 0.0 113.908 174.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.58 -29.73 70.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.227 0.611 . . . . 0.0 112.383 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.93 -54.08 49.0 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.42 0.554 . . . . 0.0 110.982 173.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.88 -48.14 72.5 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.872 0.869 . . . . 0.0 112.673 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.14 -42.58 99.39 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -69.98 -33.05 71.57 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.564 -0.71 . . . . 0.0 112.215 176.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -52.66 64.17 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.479 0.581 . . . . 0.0 110.766 170.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -62.91 -40.89 98.96 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.249 0.477 . . . . 0.0 111.678 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -54.97 -54.59 40.83 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.562 -0.711 . . . . 0.0 112.186 173.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -66.39 -39.14 88.87 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 119.1 0.864 . . . . 0.0 112.401 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -56.29 -51.04 69.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.652 1.569 . . . . 0.0 110.744 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -81.18 -9.45 59.79 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -89.82 -48.4 7.27 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.267 1.394 . . . . 0.0 112.812 165.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -80.15 -51.62 8.76 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.122 2.169 . . . . 0.0 113.236 -173.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -93.09 -34.04 13.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.885 0.874 . . . . 0.0 112.14 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.14 44.93 18.36 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.072 1.349 . . . . 0.0 112.29 174.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -59.81 139.02 57.62 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.962 1.305 . . . . 0.0 112.617 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -87.31 -3.71 59.04 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.471 1.909 . . . . 0.0 114.129 -177.623 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -63.91 146.68 53.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.613 1.165 . . . . 0.0 113.101 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 155.94 39.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.92 0.888 . . . . 0.0 113.147 176.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -71.37 -2.32 16.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.489 1.515 . . . . 0.0 114.487 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -71.35 -1.82 14.25 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -144.29 147.29 33.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.808 1.243 . . . . 0.0 111.935 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -152.18 51.86 0.79 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.681 1.192 . . . . 0.0 111.942 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.33 -41.3 1.58 Allowed Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.953 1.74 . . . . 0.0 114.307 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 124.22 22.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.89 2.076 . . . . 0.0 112.211 175.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.01 127.48 32.67 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.497 0.665 . . . . 0.0 110.93 169.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -65.41 140.78 58.66 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.011 0.925 . . . . 0.0 111.836 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.0 p -58.76 -28.4 65.88 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.798 -1.189 . . . . 0.0 113.474 -176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.16 -26.81 68.69 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.659 1.983 . . . . 0.0 114.532 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -101.84 -31.9 10.51 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.958 0.799 . . . . 0.0 112.662 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -54.24 -47.49 72.16 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 125.637 1.575 . . . . 0.0 110.7 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -35.18 80.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.407 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.04 -47.95 69.81 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.607 1.163 . . . . 0.0 112.016 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -66.27 -40.0 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.845 -0.534 . . . . 0.0 111.943 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -62.98 -39.65 95.34 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.318 -0.864 . . . . 0.0 112.392 170.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -38.23 75.74 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.26 1.024 . . . . 0.0 112.495 172.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.37 -43.74 66.32 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.139 -0.976 . . . . 0.0 111.589 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 2.0 mmm -60.97 -34.94 75.54 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 46.5 p -87.58 -34.81 18.41 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -85.46 8.53 18.72 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.18 17.28 80.25 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.547 1.07 . . . . 0.0 114.986 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.55 145.34 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.479 1.512 . . . . 0.0 111.347 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 52.8 m -56.9 115.65 2.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.989 0.916 . . . . 0.0 111.835 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -65.86 -29.89 70.41 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -172.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -68.62 -35.01 76.73 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.097 0.959 . . . . 0.0 112.985 172.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -60.69 -26.24 66.98 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.481 0.712 . . . . 0.0 112.635 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -53.44 -63.24 1.21 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.651 0.659 . . . . 0.0 111.532 166.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -62.37 -45.26 93.96 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.832 0.853 . . . . 0.0 112.858 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -64.12 -40.0 95.24 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -71.92 -37.07 70.12 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.355 0.979 . . . . 0.0 112.038 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -52.36 63.24 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.781 0.832 . . . . 0.0 110.301 173.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -64.65 -41.6 96.01 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.551 0.74 . . . . 0.0 111.878 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -54.28 -45.82 72.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.245 1.018 . . . . 0.0 112.281 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -72.66 -44.14 62.24 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.343 -0.848 . . . . 0.0 112.537 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -55.44 -35.41 65.41 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.944 1.247 . . . . 0.0 112.302 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -54.18 -28.6 41.65 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 128.658 2.783 . . . . 0.0 113.451 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -116.21 -41.89 3.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.336 1.854 . . . . 0.0 113.965 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -71.44 -26.25 62.65 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.157 1.383 . . . . 0.0 112.994 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 46.6 t -121.63 -35.2 3.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.035 1.334 . . . . 0.0 112.595 172.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.1 23.65 13.98 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.327 1.451 . . . . 0.0 113.843 -177.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -64.7 134.59 54.54 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.118 -0.989 . . . . 0.0 110.505 164.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -82.59 -13.9 55.74 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 127.767 2.427 . . . . 0.0 110.907 175.687 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m -64.67 149.85 48.26 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.694 1.198 . . . . 0.0 113.25 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.34 -30.87 71.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.298 1.039 . . . . 0.0 113.435 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 31.5 tpp -145.79 157.22 43.94 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.826 1.25 . . . . 0.0 111.982 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -68.23 -21.37 64.84 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -132.48 155.37 48.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.049 2.139 . . . . 0.0 111.693 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -108.65 13.56 25.08 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.841 2.056 . . . . 0.0 113.494 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.58 -8.79 26.15 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.779 1.656 . . . . 0.0 114.623 -173.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -73.01 156.32 38.93 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.754 1.222 . . . . 0.0 111.663 166.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -135.71 136.91 41.23 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.458 1.503 . . . . 0.0 110.134 170.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -63.21 132.2 50.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.154 0.582 . . . . 0.0 111.815 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -57.8 -26.45 61.98 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.873 -1.142 . . . . 0.0 113.314 -174.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -61.25 -30.03 70.2 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.263 1.825 . . . . 0.0 114.798 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -96.93 -32.15 12.19 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.438 1.017 . . . . 0.0 112.249 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.05 -50.51 66.54 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.272 1.029 . . . . 0.0 109.52 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -32.53 73.32 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.759 -0.588 . . . . 0.0 112.477 -176.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.54 -47.34 67.15 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.881 1.272 . . . . 0.0 112.521 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 p -64.43 -42.6 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.408 -0.807 . . . . 0.0 112.223 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -61.85 -43.97 97.78 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.935 0.894 . . . . 0.0 110.68 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -58.28 -41.64 84.78 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.127 1.371 . . . . 0.0 113.523 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.5 92.26 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.551 -0.718 . . . . 0.0 111.448 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 2.3 mmm -60.19 -39.37 86.29 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 73.5 p -80.84 -32.66 35.04 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -81.25 5.88 15.79 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.74 23.45 77.88 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 123.993 0.806 . . . . 0.0 114.17 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.34 148.63 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.335 1.454 . . . . 0.0 111.113 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 55.1 m -56.58 112.01 1.16 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.063 0.945 . . . . 0.0 111.98 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.5 -28.19 68.37 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.357 0.663 . . . . 0.0 112.52 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -70.44 -38.04 74.45 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.165 0.986 . . . . 0.0 112.73 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -62.62 -29.3 70.51 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.456 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -57.82 -48.82 78.65 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.517 1.053 . . . . 0.0 111.632 172.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.79 -48.26 77.62 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.435 0.694 . . . . 0.0 112.358 172.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.82 -42.96 97.53 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -33.37 68.86 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.116 0.966 . . . . 0.0 111.858 176.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.69 -52.36 56.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.313 0.96 . . . . 0.0 110.488 168.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -69.66 -35.86 75.55 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.588 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -38.1 89.34 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.31 1.414 . . . . 0.0 113.272 174.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -72.71 -41.18 65.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 119.404 1.002 . . . . 0.0 112.5 170.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -55.46 -41.61 73.17 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.893 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -55.39 -19.09 8.05 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 129.208 3.003 . . . . 0.0 114.58 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -118.36 -44.57 2.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.257 1.823 . . . . 0.0 113.48 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -78.46 -25.09 45.75 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.429 1.492 . . . . 0.0 113.211 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 28.1 t -133.28 -20.52 2.11 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.931 1.292 . . . . 0.0 113.237 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.301 0.0 OUTLIER 65.97 25.82 11.0 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.088 2.155 . . . . 0.0 113.843 -179.501 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -71.18 151.05 44.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.088 1.355 . . . . 0.0 111.138 160.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -78.06 -31.8 50.46 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 168.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 128.091 2.556 . . . . 0.0 112.465 173.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 t -71.5 157.43 38.03 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.067 0.947 . . . . 0.0 112.867 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -68.09 154.46 41.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.807 1.243 . . . . 0.0 113.06 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -68.1 144.29 55.11 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.658 1.183 . . . . 0.0 112.929 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.24 -13.53 59.14 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.747 1.219 . . . . 0.0 113.929 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -160.22 152.73 20.93 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.268 1.827 . . . . 0.0 110.762 -164.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -146.89 53.37 1.09 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.035 0.934 . . . . 0.0 112.417 -174.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.79 19.66 71.6 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.233 0.92 . . . . 0.0 114.893 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -148.92 127.12 12.09 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.543 1.537 . . . . 0.0 110.997 -170.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -72.43 126.18 29.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.382 0.611 . . . . 0.0 110.446 172.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.83 133.44 50.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.781 0.832 . . . . 0.0 110.552 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -59.45 -23.93 63.12 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.967 -1.083 . . . . 0.0 113.399 -172.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.6 -26.01 67.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.716 2.006 . . . . 0.0 114.561 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -102.2 -32.05 10.27 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.022 0.929 . . . . 0.0 112.895 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -54.05 -46.62 71.99 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.902 1.281 . . . . 0.0 109.978 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -34.08 77.55 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.515 -0.755 . . . . 0.0 112.627 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.35 -49.31 64.54 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.198 0.999 . . . . 0.0 111.827 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -67.69 -39.0 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.727 -0.608 . . . . 0.0 112.35 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -67.92 -33.99 75.76 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.11 0.964 . . . . 0.0 112.58 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.29 -39.78 94.12 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.531 1.132 . . . . 0.0 112.794 166.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.06 -41.89 81.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.411 1.005 . . . . 0.0 111.228 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 mmt -56.54 -52.48 64.61 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.941 0.897 . . . . 0.0 111.42 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.7 p -73.21 -31.55 64.23 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -81.5 -3.85 54.27 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.56 27.06 73.56 Favored Glycine 0 CA--C 1.539 1.589 0 O-C-N 120.665 -1.272 . . . . 0.0 113.779 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 t -64.29 149.73 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.995 1.718 . . . . 0.0 110.977 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 m -60.95 98.47 0.07 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.434 1.094 . . . . 0.0 112.577 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -61.18 -29.98 70.13 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.775 1.23 . . . . 0.0 113.03 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -64.29 -37.73 88.53 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.919 1.288 . . . . 0.0 114.022 171.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -63.68 -34.09 77.08 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.042 0.383 . . . . 0.0 111.142 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -54.37 46.65 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.63 0.772 . . . . 0.0 111.575 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -64.51 -48.34 75.49 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -61.81 -47.28 85.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 119.156 -0.45 . . . . 0.0 111.623 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -27.19 62.32 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.433 1.015 . . . . 0.0 113.56 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -57.3 9.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.649 1.113 . . . . 0.0 109.702 168.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -73.94 -33.99 64.14 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.922 0.889 . . . . 0.0 111.983 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -45.88 92.97 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.152 -0.967 . . . . 0.0 112.958 169.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -66.59 -37.62 85.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.224 1.375 . . . . 0.0 112.158 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -55.82 -46.49 78.08 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.711 1.141 . . . . 0.0 110.393 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -80.65 4.37 18.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.495 1.918 . . . . 0.0 115.552 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -46.16 4.03 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.084 1.754 . . . . 0.0 111.981 164.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -78.27 -53.97 6.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.295 2.238 . . . . 0.0 113.286 -176.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.4 t -93.14 -30.85 15.04 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.508 1.123 . . . . 0.0 112.099 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.47 37.93 19.49 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.164 1.386 . . . . 0.0 112.595 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -75.42 47.13 0.37 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.877 2.071 . . . . 0.0 114.931 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -153.18 142.48 21.56 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.58 1.552 . . . . 0.0 111.353 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.037 1.735 . . . . 0.0 114.094 -177.149 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -70.97 -18.53 62.62 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 m80 55.53 18.97 2.95 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.866 1.666 . . . . 0.0 114.22 -172.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? 54.0 33.0 16.53 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.934 1.693 . . . . 0.0 113.935 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -63.81 147.5 51.64 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.413 1.085 . . . . 0.0 113.389 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -147.24 150.81 35.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.446 1.898 . . . . 0.0 111.16 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -132.02 11.98 4.7 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.737 1.615 . . . . 0.0 113.58 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.16 -41.8 0.45 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.758 1.17 . . . . 0.0 114.489 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -67.2 153.04 44.63 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.679 1.192 . . . . 0.0 112.514 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -140.01 137.59 34.77 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.9 1.68 . . . . 0.0 110.786 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.23 137.22 58.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.911 0.884 . . . . 0.0 112.043 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.6 p -57.82 -28.42 64.05 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.152 -0.968 . . . . 0.0 113.379 -176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.64 -22.96 66.7 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.093 1.757 . . . . 0.0 115.296 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -106.68 -32.04 8.18 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.396 1.079 . . . . 0.0 112.471 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -53.63 -46.06 70.36 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.536 1.535 . . . . 0.0 110.182 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -38.82 89.22 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.991 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.9 mt -65.72 -47.85 73.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.606 1.162 . . . . 0.0 112.101 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.1 p -65.96 -43.39 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 120.341 -0.544 . . . . 0.0 112.32 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -63.64 -41.37 98.25 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.425 -0.797 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -59.19 -44.54 92.2 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.413 1.485 . . . . 0.0 113.012 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.85 98.84 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.749 -0.594 . . . . 0.0 111.443 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mmm -63.59 -47.0 83.25 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -73.3 -31.32 63.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -89.07 6.85 37.9 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.75 26.6 64.64 Favored Glycine 0 CA--C 1.537 1.46 0 N-CA-C 115.397 0.919 . . . . 0.0 115.397 171.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.9 t -69.52 150.46 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.963 1.305 . . . . 0.0 112.153 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.8 m -57.81 104.36 0.18 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.713 1.205 . . . . 0.0 112.921 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -62.75 -36.41 82.96 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.055 0.942 . . . . 0.0 112.078 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -63.14 -37.41 87.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.225 1.41 . . . . 0.0 113.812 174.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -69.02 -31.62 70.56 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -51.71 61.24 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.934 0.893 . . . . 0.0 110.512 171.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.16 -52.47 58.89 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.474 1.11 . . . . 0.0 113.531 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.54 -38.15 90.03 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.24 0.473 . . . . 0.0 112.179 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -70.71 -33.51 70.94 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.642 0.655 . . . . 0.0 112.083 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -54.05 51.2 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.776 0.716 . . . . 0.0 111.366 170.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -67.54 -35.05 78.33 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -55.46 -54.14 47.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.072 0.949 . . . . 0.0 112.114 170.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.83 -37.52 84.66 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 118.391 -0.814 . . . . 0.0 112.192 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -55.96 -53.87 51.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.25 1.386 . . . . 0.0 110.787 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -76.7 -1.0 25.66 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -48.01 3.88 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.042 1.337 . . . . 0.0 112.592 167.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -77.86 -51.65 10.13 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.114 2.166 . . . . 0.0 113.276 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.7 t -87.03 -33.51 19.53 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.776 0.83 . . . . 0.0 111.177 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.9 35.2 26.02 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.96 1.304 . . . . 0.0 111.964 177.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -11.43 52.01 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.651 1.98 . . . . 0.0 115.814 -168.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 66.2 -52.06 0.41 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.619 2.767 . . . . 0.0 116.225 172.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 126.56 1.944 . . . . 0.0 112.397 -176.565 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -152.99 162.39 41.38 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.363 1.465 . . . . 0.0 112.005 -178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -69.28 155.03 41.09 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.954 0.902 . . . . 0.0 112.635 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 73.1 mtm -67.32 156.05 37.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.96 1.304 . . . . 0.0 113.02 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -68.64 -30.82 69.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.469 0.708 . . . . 0.0 112.874 174.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -85.96 126.52 34.18 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.681 1.592 . . . . 0.0 111.033 171.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -141.67 11.51 2.07 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.525 1.53 . . . . 0.0 113.754 -173.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.92 -30.5 1.91 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.804 1.669 . . . . 0.0 113.091 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -58.54 154.24 14.54 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.391 1.476 . . . . 0.0 112.595 170.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -143.66 131.67 21.68 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.066 1.346 . . . . 0.0 110.446 165.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.68 136.67 58.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.999 0.919 . . . . 0.0 111.56 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -57.02 -30.85 64.55 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.9 -19.74 65.78 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.513 1.925 . . . . 0.0 115.361 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -104.31 -32.28 9.15 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.916 0.886 . . . . 0.0 113.089 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -53.97 -46.82 71.76 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.692 1.197 . . . . 0.0 110.228 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -36.5 80.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.281 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.35 -48.16 62.19 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.647 1.179 . . . . 0.0 112.137 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.32 -40.72 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.823 -0.548 . . . . 0.0 111.972 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -63.58 -40.41 96.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.861 0.864 . . . . 0.0 111.696 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.17 -38.78 80.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.785 1.234 . . . . 0.0 113.56 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.8 82.57 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.438 1.017 . . . . 0.0 110.517 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 4.9 mmm -61.6 -41.67 97.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 119.364 -0.35 . . . . 0.0 111.925 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 81.2 p -79.81 -31.16 40.69 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -80.16 2.18 25.21 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 20.87 74.75 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 120.819 -1.176 . . . . 0.0 113.872 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 32.2 t -63.61 142.02 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.256 1.423 . . . . 0.0 109.967 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -58.02 112.33 1.47 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.833 0.853 . . . . 0.0 112.203 -171.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -65.11 -27.21 68.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -172.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.27 -38.17 84.66 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -60.48 -29.09 68.84 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.999 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -53.88 51.82 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 119.473 1.033 . . . . 0.0 111.686 175.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -65.28 -46.62 79.72 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.261 0.624 . . . . 0.0 112.535 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -66.64 -38.69 87.43 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -32.42 65.48 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.733 -1.229 . . . . 0.0 112.255 171.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.8 -50.59 65.78 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.244 0.929 . . . . 0.0 109.924 166.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -58.68 -46.82 86.41 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.821 175.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -36.6 84.41 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.133 1.333 . . . . 0.0 114.515 -178.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -72.89 -44.04 61.76 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.522 1.055 . . . . 0.0 112.053 170.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -54.45 -39.42 67.41 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.614 0.766 . . . . 0.0 110.868 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.1 -23.36 13.65 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 129.412 3.085 . . . . 0.0 114.588 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -125.6 -37.24 2.35 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.715 1.606 . . . . 0.0 113.53 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -72.72 -25.5 61.24 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.824 1.25 . . . . 0.0 113.344 175.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -138.57 -18.53 1.09 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.25 0.0 OUTLIER 64.86 22.8 12.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.7 1.6 . . . . 0.0 114.224 175.453 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -69.91 147.58 50.07 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.438 -0.789 . . . . 0.0 109.753 151.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -155.39 153.58 30.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.043 0.937 . . . . 0.0 111.941 -171.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 125.78 1.632 . . . . 0.0 111.833 -177.177 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 111.754 -0.539 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -155.2 151.36 28.07 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.963 1.305 . . . . 0.0 111.873 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -75.46 -6.26 49.21 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.253 1.021 . . . . 0.0 113.52 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 9.8 tpp 69.0 155.8 0.13 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.92 2.488 . . . . 0.0 115.65 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -110.13 -117.78 0.29 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.591 1.556 . . . . 0.0 110.553 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -66.34 152.86 44.13 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.335 1.054 . . . . 0.0 111.896 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -136.14 15.89 3.25 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.679 1.592 . . . . 0.0 113.219 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.29 -27.77 7.54 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.223 1.868 . . . . 0.0 113.003 -171.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -68.02 152.51 45.4 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.391 1.095 . . . . 0.0 111.935 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -128.56 143.27 50.93 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.767 1.627 . . . . 0.0 111.019 172.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -64.27 135.57 56.35 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.81 -0.556 . . . . 0.0 112.137 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -56.55 -30.21 62.85 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.033 -1.042 . . . . 0.0 112.69 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -61.27 -30.65 70.6 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -98.81 -31.67 11.75 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.707 1.14 . . . . 0.0 112.136 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -52.93 -47.68 67.85 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.665 1.586 . . . . 0.0 109.756 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -67.55 -29.97 69.49 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.343 -0.836 . . . . 0.0 113.182 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 60.0 mt -71.01 -48.13 54.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.02 1.328 . . . . 0.0 112.363 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 10.4 p -66.27 -37.82 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 O-C-N 121.471 -0.768 . . . . 0.0 112.205 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -67.13 -37.44 83.85 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.283 -0.886 . . . . 0.0 111.824 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -39.23 77.11 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.561 1.144 . . . . 0.0 112.612 167.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -43.0 81.3 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.198 -0.939 . . . . 0.0 111.684 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 15.9 mmt -60.35 -37.02 79.38 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -82.23 -36.37 27.27 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.53 7.99 26.99 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -173.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.7 20.54 78.11 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.549 1.071 . . . . 0.0 114.833 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -67.12 147.04 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.444 1.497 . . . . 0.0 111.757 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 50.5 m -60.01 108.83 0.83 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.255 1.022 . . . . 0.0 111.915 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -65.23 -27.78 68.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -67.72 -40.76 84.21 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 170.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.66 -27.57 69.32 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -56.23 16.64 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.794 0.724 . . . . 0.0 111.278 169.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -64.72 -47.44 78.27 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.94 0.896 . . . . 0.0 112.646 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -64.02 -38.47 91.21 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -72.63 -34.16 67.14 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.192 0.905 . . . . 0.0 111.914 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -52.54 62.73 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.777 -0.577 . . . . 0.0 111.002 166.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -59.71 -41.33 90.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.732 -0.652 . . . . 0.0 111.512 175.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.24 -49.26 77.73 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.672 1.189 . . . . 0.0 113.072 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -71.3 -42.04 69.17 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.629 -0.669 . . . . 0.0 112.076 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -52.65 -40.16 62.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.995 0.816 . . . . 0.0 110.952 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.06 -24.37 9.82 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 128.456 2.703 . . . . 0.0 114.592 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -127.07 -39.08 1.95 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.702 1.601 . . . . 0.0 113.207 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -72.53 -25.8 61.52 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.79 1.236 . . . . 0.0 113.139 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 95.3 p -133.56 -17.44 2.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.287 1.035 . . . . 0.0 113.723 172.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.275 0.0 OUTLIER 62.29 30.52 17.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.555 1.942 . . . . 0.0 113.547 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -93.32 146.23 23.87 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.567 -0.708 . . . . 0.0 110.935 153.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -84.48 -14.76 48.23 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.91 0.884 . . . . 0.0 112.84 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 127.898 2.479 . . . . 0.0 110.79 176.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 112.174 -0.37 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m 57.8 31.51 20.59 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.682 1.593 . . . . 0.0 114.982 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -69.71 144.27 52.86 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.357 1.063 . . . . 0.0 112.588 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 mmt -80.13 156.03 27.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.43 1.092 . . . . 0.0 112.759 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -75.17 -12.5 60.31 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 173.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -159.36 137.49 10.4 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.617 1.567 . . . . 0.0 111.032 -171.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -114.6 23.61 12.56 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.298 1.439 . . . . 0.0 113.105 -172.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.22 23.88 74.78 Favored Glycine 0 CA--C 1.538 1.488 0 O-C-N 121.167 -0.958 . . . . 0.0 113.31 -171.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -152.37 127.45 9.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.394 1.877 . . . . 0.0 110.253 -168.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -72.16 126.67 30.37 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.767 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.9 t0 -65.69 135.94 55.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.447 1.099 . . . . 0.0 111.09 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.0 t -57.2 -29.56 63.81 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.065 -1.022 . . . . 0.0 112.235 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.96 -20.23 66.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.435 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.5 m95 -103.53 -32.26 9.55 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.017 0.927 . . . . 0.0 112.912 172.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -53.66 -45.94 70.41 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.997 1.319 . . . . 0.0 110.073 171.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -39.46 92.45 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.075 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -66.19 -47.02 75.3 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.506 1.122 . . . . 0.0 111.554 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.4 p -69.03 -43.5 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.8 mtm105 -57.71 -44.0 85.63 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.09 -1.006 . . . . 0.0 111.819 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -43.13 94.1 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.118 0.967 . . . . 0.0 113.082 173.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.62 96.3 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.675 -0.64 . . . . 0.0 110.959 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.0 mmm -64.75 -51.77 60.54 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.8 p -72.21 -32.47 66.81 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -87.13 6.94 30.3 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.61 25.53 67.44 Favored Glycine 0 CA--C 1.538 1.479 0 N-CA-C 115.822 1.089 . . . . 0.0 115.822 168.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -67.83 149.75 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.475 1.51 . . . . 0.0 112.021 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.9 m -58.91 107.48 0.53 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.211 1.004 . . . . 0.0 112.607 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -62.72 -35.82 80.97 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.275 1.03 . . . . 0.0 112.344 -175.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -63.18 -37.19 86.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.91 1.284 . . . . 0.0 113.902 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -65.31 -33.41 75.91 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 118.107 0.412 . . . . 0.0 111.363 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -55.24 35.56 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.745 0.818 . . . . 0.0 111.067 174.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -62.4 -51.25 68.31 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.032 0.933 . . . . 0.0 112.898 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -61.16 -45.26 95.36 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.15 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.67 -34.36 77.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.424 1.011 . . . . 0.0 112.189 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -57.58 11.41 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.516 0.598 . . . . 0.0 111.887 172.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -71.73 -30.21 65.38 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -58.27 -50.28 74.15 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.733 1.213 . . . . 0.0 112.837 168.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -66.78 -39.83 87.95 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.218 0.917 . . . . 0.0 112.253 175.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -54.7 -47.52 73.6 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.943 1.247 . . . . 0.0 110.13 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -81.99 6.96 14.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.44 -45.24 3.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.726 1.21 . . . . 0.0 112.297 164.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -73.82 -33.52 64.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.662 1.985 . . . . 0.0 114.477 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.1 t -134.79 -32.75 0.97 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -168.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.9 35.19 24.07 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.637 1.575 . . . . 0.0 114.498 171.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 147.16 49.29 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.239 1.016 . . . . 0.0 113.204 174.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -77.15 159.14 29.98 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.251 1.02 . . . . 0.0 112.546 174.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.146 1.378 . . . . 0.0 113.487 175.627 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -70.81 157.54 37.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.67 1.188 . . . . 0.0 112.912 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -70.32 144.14 51.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.011 0.925 . . . . 0.0 112.551 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -69.25 145.72 52.9 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.524 1.13 . . . . 0.0 112.296 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -72.36 143.91 48.44 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.415 1.086 . . . . 0.0 112.245 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . 0.286 82.6 m-85 55.42 -161.3 0.17 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.758 2.023 . . . . 0.0 114.32 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 28.6 t0 55.81 26.25 9.37 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 125.39 1.476 . . . . 0.0 114.032 -168.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.09 -38.47 1.18 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 126.234 1.874 . . . . 0.0 112.965 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -75.54 153.37 37.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.864 1.266 . . . . 0.0 111.772 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -144.76 138.12 26.95 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.035 1.334 . . . . 0.0 110.364 173.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -67.15 134.02 50.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.251 0.621 . . . . 0.0 111.684 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 16.4 m -59.19 -24.94 63.53 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.699 -1.251 . . . . 0.0 113.966 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -64.01 -23.75 67.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.839 1.655 . . . . 0.0 114.95 174.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -103.7 -30.94 10.11 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.654 1.182 . . . . 0.0 112.391 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.15 -49.1 70.01 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.129 0.972 . . . . 0.0 109.264 169.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -34.49 74.59 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 119.012 -0.518 . . . . 0.0 111.886 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.11 -49.99 57.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.104 1.361 . . . . 0.0 111.994 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.96 -40.82 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.549 -0.719 . . . . 0.0 112.356 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 16.5 mtm105 -64.62 -39.76 94.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.608 0.763 . . . . 0.0 110.49 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.94 -42.28 84.53 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.012 0.925 . . . . 0.0 112.061 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.77 -41.93 82.53 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 120.037 1.29 . . . . 0.0 111.541 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mmm -63.9 -40.15 95.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 62.5 p -86.39 -31.99 21.17 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -87.23 2.32 50.41 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.44 25.47 47.14 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.702 1.144 . . . . 0.0 114.769 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 30.1 t -78.41 150.11 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.073 1.349 . . . . 0.0 112.226 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.3 m -61.36 97.87 0.07 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.206 1.402 . . . . 0.0 113.193 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -59.16 -30.94 68.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.708 1.203 . . . . 0.0 113.165 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -65.2 -33.82 76.92 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.282 1.433 . . . . 0.0 114.289 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -65.84 -33.27 75.47 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 119.19 -0.433 . . . . 0.0 111.4 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -53.16 60.34 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.691 0.796 . . . . 0.0 111.5 -178.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -63.59 -48.34 77.79 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -64.02 -44.46 92.52 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -30.79 67.42 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.528 -0.732 . . . . 0.0 112.799 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -56.99 12.7 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.066 0.848 . . . . 0.0 110.076 170.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -68.83 -35.68 77.25 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.721 0.808 . . . . 0.0 112.296 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.69 -51.0 71.34 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.481 -0.762 . . . . 0.0 112.553 170.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -65.1 -39.05 92.6 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.674 1.124 . . . . 0.0 112.357 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -55.9 -50.11 71.57 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.724 1.147 . . . . 0.0 110.924 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -78.04 -2.66 38.25 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -47.99 5.37 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.61 1.564 . . . . 0.0 112.158 165.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 mmpp? -78.97 -53.86 6.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.938 2.095 . . . . 0.0 113.209 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 39.5 t -91.59 -29.27 17.02 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.295 1.038 . . . . 0.0 111.81 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.59 52.09 7.26 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.314 1.446 . . . . 0.0 111.661 173.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -69.05 -37.37 78.52 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.57 1.548 . . . . 0.0 114.81 -157.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 55.66 25.33 8.02 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.505 1.522 . . . . 0.0 114.71 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 125.231 1.413 . . . . 0.0 113.92 178.139 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 112.186 -0.365 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 29.3 m -65.74 156.18 33.85 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.822 1.249 . . . . 0.0 113.385 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -63.02 148.12 48.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.799 0.84 . . . . 0.0 112.487 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 24.1 mmt -107.17 -13.29 15.19 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.336 1.454 . . . . 0.0 112.018 170.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 -76.37 -7.91 56.0 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.793 2.437 . . . . 0.0 113.89 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -152.26 149.37 28.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.82 1.648 . . . . 0.0 111.138 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -148.16 47.78 1.06 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.253 1.021 . . . . 0.0 112.45 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.96 17.15 71.33 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.294 -0.879 . . . . 0.0 114.572 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -149.54 131.22 14.98 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.268 1.827 . . . . 0.0 110.56 -169.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.25 132.27 44.7 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.576 0.703 . . . . 0.0 110.905 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.11 22.06 1.01 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 116.914 2.191 . . . . 0.0 116.914 -156.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m 63.16 -36.0 0.14 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 129.957 3.303 . . . . 0.0 115.657 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -63.82 -29.34 70.54 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.885 2.074 . . . . 0.0 112.313 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -96.42 -30.51 13.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.956 0.903 . . . . 0.0 112.046 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -57.63 -48.92 78.11 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.639 1.575 . . . . 0.0 109.692 170.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -65.22 -29.6 70.42 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 62.2 mt -68.89 -50.73 47.06 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.747 1.219 . . . . 0.0 112.371 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -65.86 -35.61 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 O-C-N 121.528 -0.733 . . . . 0.0 112.498 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 mtm105 -63.91 -42.71 97.35 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.3 -0.875 . . . . 0.0 111.149 172.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -36.37 72.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.257 1.023 . . . . 0.0 113.094 170.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.31 75.6 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.226 -0.921 . . . . 0.0 111.931 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' MET . . . . . 0.474 ' HE3' ' CD1' ' D' ' 14' ' ' TRP . 25.8 mmt -60.53 -40.73 92.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.197 0.453 . . . . 0.0 111.671 173.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 82.7 p -79.88 -35.1 38.56 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -87.14 8.25 24.57 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.436 1.016 . . . . 0.0 113.676 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.4 23.8 76.32 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.704 -1.248 . . . . 0.0 114.472 174.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 6.5 t -66.94 145.19 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.06 1.344 . . . . 0.0 111.083 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -59.77 111.07 1.31 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.616 1.166 . . . . 0.0 111.606 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -67.19 -24.36 65.85 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -171.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -67.92 -33.74 75.27 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 171.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -63.49 -26.34 68.67 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 123.352 0.661 . . . . 0.0 112.529 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.43 -59.0 5.14 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 118.518 0.599 . . . . 0.0 111.006 168.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -63.12 -47.88 80.91 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.606 0.763 . . . . 0.0 112.582 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -64.9 -37.03 86.27 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.24 -36.8 69.19 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.598 1.09 . . . . 0.0 112.169 173.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -50.19 67.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.402 0.681 . . . . 0.0 109.706 171.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.25 -44.09 96.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 112.428 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -53.45 -47.23 69.89 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.779 1.231 . . . . 0.0 112.52 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -74.4 -43.44 56.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.932 0.787 . . . . 0.0 112.99 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -53.76 -35.66 61.51 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.232 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -53.72 -23.63 12.27 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 128.664 2.786 . . . . 0.0 114.664 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -127.09 -37.66 2.06 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.693 1.597 . . . . 0.0 112.66 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -70.52 -24.79 62.89 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.469 1.108 . . . . 0.0 113.226 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 26.1 t -144.66 -17.13 0.53 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.98 22.21 11.27 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.076 2.15 . . . . 0.0 115.156 170.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -16.24 56.82 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 168.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 66.56 -52.86 0.43 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 128.243 2.617 . . . . 0.0 116.295 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 125.236 1.414 . . . . 0.0 113.564 -179.223 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.428 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -153.23 169.07 23.93 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.18 1.392 . . . . 0.0 112.414 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -74.8 141.81 44.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.126 0.97 . . . . 0.0 111.713 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 1.9 mpt? 53.23 31.43 11.6 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.557 1.543 . . . . 0.0 113.99 -175.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.76 157.41 37.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.883 1.273 . . . . 0.0 113.395 -176.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -76.85 36.21 0.17 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.87 2.068 . . . . 0.0 115.008 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -78.3 16.72 0.74 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.254 1.422 . . . . 0.0 113.292 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.24 -34.26 0.43 Allowed Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.844 -1.16 . . . . 0.0 114.983 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -73.44 145.52 45.69 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.186 0.993 . . . . 0.0 111.842 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -145.95 148.0 32.31 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.424 1.889 . . . . 0.0 109.934 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . 0.444 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 6.2 t0 -64.37 136.38 57.07 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.387 0.613 . . . . 0.0 111.853 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 99.4 p -58.45 -29.07 65.87 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.689 -1.257 . . . . 0.0 113.469 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.32 -27.06 66.85 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.195 1.798 . . . . 0.0 114.297 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' TRP . . . . . 0.474 ' CD1' ' HE3' ' C' ' 22' ' ' MET . 1.9 m95 -100.41 -31.28 11.38 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.096 0.862 . . . . 0.0 112.871 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -53.86 -48.09 70.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.265 1.026 . . . . 0.0 109.584 170.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -35.17 79.38 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.977 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 54.0 mt -68.06 -45.48 73.77 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.212 1.405 . . . . 0.0 112.411 177.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.6 -43.62 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.561 -0.712 . . . . 0.0 112.118 176.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 23.3 mtm105 -62.88 -41.25 99.33 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.728 -0.607 . . . . 0.0 110.615 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.78 -41.89 87.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.395 1.478 . . . . 0.0 113.492 173.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.93 92.19 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 121.482 -0.761 . . . . 0.0 111.486 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mmm -60.75 -40.08 91.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 76.3 p -78.41 -31.3 48.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t -81.69 5.83 17.14 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.91 22.28 78.8 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 123.903 0.763 . . . . 0.0 114.168 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 36.1 t -67.27 146.57 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.892 1.277 . . . . 0.0 111.061 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -57.92 109.84 0.81 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.274 1.03 . . . . 0.0 112.139 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.29 -31.33 71.91 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.921 0.888 . . . . 0.0 113.222 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -67.25 -36.6 81.95 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.91 0.884 . . . . 0.0 112.7 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -64.02 -29.12 70.29 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 118.572 -0.728 . . . . 0.0 112.432 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.41 -47.18 84.76 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.672 1.124 . . . . 0.0 111.707 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -62.72 -49.95 73.06 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.739 0.7 . . . . 0.0 112.199 172.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.47 -37.17 84.52 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.96 -30.41 62.51 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.183 1.356 . . . . 0.0 111.868 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.34 -50.72 70.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.104 0.866 . . . . 0.0 110.243 166.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -61.05 -40.38 93.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.311 0.644 . . . . 0.0 112.055 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -59.63 -47.52 85.25 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.997 1.319 . . . . 0.0 112.758 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -70.2 -43.0 71.6 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.869 -0.519 . . . . 0.0 111.729 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -53.62 -41.68 66.95 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.54 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -53.5 -23.18 9.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.203 2.601 . . . . 0.0 114.812 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -118.6 -43.0 2.71 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.055 1.742 . . . . 0.0 112.861 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -36.13 71.47 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -177.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 89.3 p -125.65 -10.68 6.76 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.111 1.364 . . . . 0.0 114.504 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.287 0.0 OUTLIER 59.11 34.24 23.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 128.642 2.777 . . . . 0.0 113.923 175.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -103.81 134.82 46.46 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.624 1.57 . . . . 0.0 110.311 169.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -75.85 -17.54 59.78 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.232 1.013 . . . . 0.0 112.774 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 128.292 2.637 . . . . 0.0 111.31 179.409 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.499 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -77.02 48.15 0.58 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.097 1.759 . . . . 0.0 114.281 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -156.85 171.55 20.21 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.639 1.975 . . . . 0.0 110.742 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.7 mmt -65.84 128.55 36.45 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.428 -0.795 . . . . 0.0 110.231 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -95.2 0.65 54.24 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -150.8 149.79 30.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.025 1.33 . . . . 0.0 111.596 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -149.9 46.3 0.93 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.362 1.065 . . . . 0.0 112.491 -175.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.44 19.33 74.38 Favored Glycine 0 CA--C 1.54 1.605 0 O-C-N 121.215 -0.928 . . . . 0.0 114.616 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -151.54 128.65 11.13 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.011 1.724 . . . . 0.0 110.486 -169.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.41 130.26 39.75 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.488 0.661 . . . . 0.0 111.73 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 11.8 t0 -67.48 136.88 55.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.77 1.228 . . . . 0.0 111.365 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.8 t -57.19 -28.9 63.25 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.049 -1.032 . . . . 0.0 112.513 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -60.99 -28.45 69.04 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 173.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.414 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.7 m95 -100.95 -31.8 10.95 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.46 1.027 . . . . 0.0 112.469 177.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -53.91 -47.28 71.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.015 1.326 . . . . 0.0 110.043 171.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -36.59 84.15 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.53 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.06 -48.04 72.34 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.472 1.109 . . . . 0.0 111.901 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.68 -41.69 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 119.946 -0.702 . . . . 0.0 112.445 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -66.22 -37.55 85.82 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.54 -0.725 . . . . 0.0 111.27 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.71 -43.9 93.95 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.19 0.996 . . . . 0.0 112.69 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.84 97.72 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.783 -0.573 . . . . 0.0 111.422 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.413 ' HB3' ' CD2' ' B' ' 6' ' ' TYR . 8.3 mmt -58.26 -51.37 70.07 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.034 0.534 . . . . 0.0 112.18 174.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.0 p -77.63 -30.96 52.48 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -174.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -83.23 4.27 27.58 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.98 21.94 78.93 Favored Glycine 0 CA--C 1.535 1.315 0 O-C-N 121.048 -1.032 . . . . 0.0 114.729 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -63.46 150.56 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.248 1.419 . . . . 0.0 111.132 174.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -65.04 89.97 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.195 0.998 . . . . 0.0 112.274 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -21.65 65.37 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.864 1.266 . . . . 0.0 114.239 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -60.03 -36.21 76.78 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 165.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -65.5 -35.1 79.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 118.694 -0.669 . . . . 0.0 111.712 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -55.89 -47.62 77.07 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.855 0.752 . . . . 0.0 110.522 173.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -63.2 -53.39 53.9 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.881 0.764 . . . . 0.0 113.031 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -63.21 -40.72 98.27 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 117.816 0.28 . . . . 0.0 111.665 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -68.49 -33.18 73.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.006 0.922 . . . . 0.0 112.169 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -54.51 46.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.392 0.677 . . . . 0.0 111.201 173.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -68.4 -36.71 79.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.7 0.4 . . . . 0.0 111.874 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -54.56 -52.26 62.66 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.657 0.783 . . . . 0.0 112.448 169.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -66.15 -40.68 90.74 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.271 0.941 . . . . 0.0 112.289 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -56.38 -51.59 67.74 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.553 1.524 . . . . 0.0 110.638 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -77.0 -10.77 59.59 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -85.79 -45.31 11.73 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.588 1.155 . . . . 0.0 112.39 165.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -47.53 5.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.35 1.86 . . . . 0.0 113.62 -162.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 t -84.14 -32.68 24.54 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.094 0.958 . . . . 0.0 111.042 167.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.72 52.25 6.91 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.896 1.678 . . . . 0.0 112.039 173.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -63.67 -27.39 69.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.161 1.784 . . . . 0.0 114.845 -168.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 61.41 -56.47 0.11 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.22 2.208 . . . . 0.0 112.936 -161.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.513 1.925 . . . . 0.0 111.09 167.423 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 112.006 -0.438 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -74.54 -42.01 59.59 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.942 0.897 . . . . 0.0 113.125 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 52.2 42.91 30.97 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.908 1.683 . . . . 0.0 113.899 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 17.9 ptp -61.93 156.95 19.61 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.603 1.561 . . . . 0.0 113.72 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -71.26 158.86 35.65 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.438 1.095 . . . . 0.0 112.784 175.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 22' ' ' MET . 2.7 t80 66.98 155.71 0.1 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.04 2.136 . . . . 0.0 115.383 177.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -151.03 40.03 0.7 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.593 1.157 . . . . 0.0 112.569 -174.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.01 17.21 69.48 Favored Glycine 0 CA--C 1.539 1.558 0 O-C-N 121.124 -0.985 . . . . 0.0 114.344 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -148.14 132.27 17.33 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.734 2.014 . . . . 0.0 110.19 -171.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -69.35 122.27 18.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.777 0.431 . . . . 0.0 110.213 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -67.03 133.64 50.31 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.312 0.645 . . . . 0.0 110.33 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.9 m -59.48 -22.19 61.21 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 -167.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.77 -25.66 66.68 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.543 1.937 . . . . 0.0 114.522 172.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -102.28 -32.16 10.19 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.174 0.99 . . . . 0.0 112.627 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -54.17 -49.25 69.75 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.323 1.049 . . . . 0.0 109.394 169.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -34.27 76.5 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.776 -0.63 . . . . 0.0 112.176 -177.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -67.15 -48.54 67.71 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.774 1.23 . . . . 0.0 112.157 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -66.52 -41.14 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 120.016 -0.673 . . . . 0.0 112.193 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 mtm105 -66.07 -38.16 87.62 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.394 -0.817 . . . . 0.0 110.68 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.39 -41.62 89.8 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.538 1.135 . . . . 0.0 112.606 170.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.76 -43.29 84.48 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.196 0.907 . . . . 0.0 111.323 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mmm -62.6 -42.91 99.85 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -78.0 -28.2 49.2 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -75.06 -28.33 60.33 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.942 0.792 . . . . 0.0 112.411 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.32 25.78 46.38 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 113.034 -170.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.4 t -60.04 150.0 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.549 1.94 . . . . 0.0 111.036 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 67.5 m -58.41 102.75 0.12 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.07 0.948 . . . . 0.0 112.634 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -61.48 -33.99 74.7 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.523 1.129 . . . . 0.0 112.277 -174.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -60.88 -35.14 75.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.413 1.485 . . . . 0.0 114.292 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.97 -32.88 74.41 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.13 0.572 . . . . 0.0 111.901 -176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.04 -58.75 6.14 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.529 0.604 . . . . 0.0 110.87 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -64.33 -47.95 77.43 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.166 0.986 . . . . 0.0 113.119 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -63.97 -43.36 96.02 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 119.513 -0.28 . . . . 0.0 111.568 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -66.78 -36.0 81.39 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.83 0.741 . . . . 0.0 112.208 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -54.75 42.17 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.144 0.977 . . . . 0.0 110.815 174.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -67.8 -36.01 79.67 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.395 0.678 . . . . 0.0 111.956 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.69 -50.15 72.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.789 0.836 . . . . 0.0 112.595 169.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -67.42 -37.83 83.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.421 1.009 . . . . 0.0 112.632 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -55.99 -48.87 75.05 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.233 1.379 . . . . 0.0 110.254 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -77.69 -5.0 49.0 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -93.92 -48.92 6.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.197 1.399 . . . . 0.0 112.409 167.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -57.98 3.48 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.988 2.115 . . . . 0.0 112.778 -177.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -87.68 -29.96 20.74 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.725 1.21 . . . . 0.0 111.893 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.84 37.96 27.1 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.415 1.486 . . . . 0.0 112.381 172.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.23 42.57 0.42 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.125 2.17 . . . . 0.0 115.085 -167.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -72.93 -14.15 61.4 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 . . . . . 0 C--O 1.253 1.284 0 C-N-CA 126.282 1.833 . . . . 0.0 112.33 178.6 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -66.0 149.99 49.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.622 1.169 . . . . 0.0 113.169 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -65.53 137.65 57.54 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.046 0.938 . . . . 0.0 111.911 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 25.1 ptp -146.87 9.11 0.99 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.663 1.185 . . . . 0.0 114.074 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -72.34 153.59 41.4 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.136 -0.977 . . . . 0.0 112.052 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 60.06 25.13 14.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 170.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -74.55 9.65 1.68 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.419 1.888 . . . . 0.0 114.264 167.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.91 -20.31 7.23 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.683 2.087 . . . . 0.0 112.562 -163.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -70.17 153.35 43.22 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.813 1.645 . . . . 0.0 112.27 166.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -142.49 140.7 31.96 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.544 1.938 . . . . 0.0 109.977 174.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.88 130.61 43.73 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.239 0.543 . . . . 0.0 111.588 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 18.1 m -58.06 -25.79 61.69 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.714 -1.241 . . . . 0.0 113.838 -171.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -63.52 -27.53 69.32 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.553 1.941 . . . . 0.0 114.512 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -97.68 -32.36 11.8 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.026 0.83 . . . . 0.0 112.668 177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -54.27 -46.38 72.68 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.264 1.425 . . . . 0.0 110.184 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -33.87 77.01 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.832 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.23 -48.11 66.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.367 1.067 . . . . 0.0 112.246 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.68 -41.7 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.577 -0.702 . . . . 0.0 112.052 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -63.29 -40.42 97.31 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.181 0.992 . . . . 0.0 112.61 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -60.84 -40.24 92.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.156 1.382 . . . . 0.0 113.537 170.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.97 90.26 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.419 -0.801 . . . . 0.0 111.034 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mmm -60.57 -45.48 93.76 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 73.8 p -73.13 -31.14 64.1 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 5.2 t -83.3 4.63 26.3 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.93 20.71 80.02 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.195 -0.94 . . . . 0.0 114.894 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 23.5 t -59.44 144.99 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.596 1.558 . . . . 0.0 111.015 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 65.3 m -56.82 110.95 0.89 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.177 0.991 . . . . 0.0 112.171 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -65.59 -28.0 68.82 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -67.89 -40.61 83.46 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.767 0.712 . . . . 0.0 112.368 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -61.96 -29.15 70.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 118.409 0.55 . . . . 0.0 112.381 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -53.75 51.06 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.109 0.868 . . . . 0.0 110.959 171.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -64.23 -49.2 72.89 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.43 1.092 . . . . 0.0 113.0 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.76 -38.97 93.1 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -74.7 -33.66 62.46 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.563 1.145 . . . . 0.0 112.041 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -54.27 33.49 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.641 -0.662 . . . . 0.0 110.299 165.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.42 -32.21 73.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.257 0.623 . . . . 0.0 112.529 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -58.74 -54.64 44.77 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.607 1.163 . . . . 0.0 112.199 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -67.23 -40.85 86.4 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.581 0.628 . . . . 0.0 111.585 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -53.69 -41.17 66.64 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.649 0.78 . . . . 0.0 111.17 173.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -53.91 -23.08 11.59 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.641 1.977 . . . . 0.0 114.489 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -116.95 -40.83 3.09 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.542 1.537 . . . . 0.0 113.484 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -74.36 -25.37 59.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.824 1.25 . . . . 0.0 113.79 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 93.8 p -135.07 -20.09 1.71 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.252 1.421 . . . . 0.0 114.036 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.67 27.95 14.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.894 2.078 . . . . 0.0 113.942 170.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -70.77 -22.92 62.33 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 57.95 42.01 23.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.54 1.536 . . . . 0.0 113.94 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.348 1.459 . . . . 0.0 114.151 175.762 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m -64.66 148.26 51.33 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.596 1.159 . . . . 0.0 112.988 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -69.8 150.89 46.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.903 0.881 . . . . 0.0 112.558 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 35.3 mmt -77.87 83.7 4.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.301 1.44 . . . . 0.0 111.455 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.21 -46.87 66.35 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 51.74 32.98 10.24 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.303 1.841 . . . . 0.0 115.358 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -76.5 53.53 0.87 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.808 1.643 . . . . 0.0 111.904 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.88 -21.26 47.03 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.667 1.603 . . . . 0.0 113.591 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 141.27 54.99 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.034 1.334 . . . . 0.0 111.518 169.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -129.55 135.56 48.74 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.238 1.415 . . . . 0.0 109.989 165.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -63.43 132.09 50.3 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.949 0.499 . . . . 0.0 111.561 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -58.33 -26.35 62.98 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.923 -1.11 . . . . 0.0 113.376 -172.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -61.53 -26.4 67.91 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.752 2.021 . . . . 0.0 114.948 173.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -100.2 -32.1 11.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.826 0.85 . . . . 0.0 112.646 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -55.43 -44.64 76.48 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.518 1.527 . . . . 0.0 111.113 170.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -32.6 74.13 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 177.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 71.3 mt -68.46 -45.03 73.55 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.343 1.057 . . . . 0.0 112.09 174.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.4 -42.11 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 121.785 -0.572 . . . . 0.0 112.328 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -58.19 -41.72 84.54 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.035 -1.041 . . . . 0.0 112.354 169.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.95 -38.41 78.97 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.92 0.888 . . . . 0.0 112.469 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.12 -44.68 71.92 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.196 0.907 . . . . 0.0 111.076 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.6 mmm -61.52 -40.5 94.85 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.768 0.427 . . . . 0.0 111.857 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 60.8 p -83.46 -32.31 26.09 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -83.77 8.37 14.89 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.17 19.27 78.49 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.193 -0.942 . . . . 0.0 114.484 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.9 144.29 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.323 1.449 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 60.9 m -58.82 114.75 2.69 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.92 0.888 . . . . 0.0 111.868 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -66.65 -28.58 68.58 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.319 0.648 . . . . 0.0 112.706 -171.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -65.87 -39.43 90.7 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.453 0.701 . . . . 0.0 112.708 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -60.05 -29.29 68.43 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.306 0.642 . . . . 0.0 112.315 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.24 -56.35 19.18 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.132 0.878 . . . . 0.0 111.515 175.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.45 -45.24 84.53 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.575 0.75 . . . . 0.0 112.69 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.12 -41.7 97.13 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -33.86 64.76 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.301 1.04 . . . . 0.0 112.972 174.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -52.53 52.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.842 0.746 . . . . 0.0 109.192 169.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -65.85 -41.07 92.16 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.682 0.793 . . . . 0.0 112.593 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.98 -46.83 68.44 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.212 1.405 . . . . 0.0 111.947 175.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -71.84 -43.34 65.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.669 -0.681 . . . . 0.0 112.511 174.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -55.82 -40.23 72.49 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.452 1.024 . . . . 0.0 112.503 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -54.37 -26.27 29.19 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 129.209 3.004 . . . . 0.0 113.591 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -117.08 -38.91 3.29 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.659 1.584 . . . . 0.0 113.607 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -44.69 72.17 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.415 1.086 . . . . 0.0 112.463 176.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 33.3 p -116.47 -22.79 8.57 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.35 40.41 14.23 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.148 1.379 . . . . 0.0 113.319 175.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -56.61 139.4 50.13 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.584 -0.697 . . . . 0.0 110.632 163.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -152.01 154.66 36.45 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.299 1.04 . . . . 0.0 111.743 -168.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 125.506 1.522 . . . . 0.0 113.811 179.782 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -153.5 163.13 40.49 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.245 1.418 . . . . 0.0 111.874 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -67.75 152.35 45.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.868 1.267 . . . . 0.0 113.097 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.9 mtm -68.94 148.19 50.55 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.348 1.059 . . . . 0.0 112.677 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -71.75 -14.14 61.92 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.713 1.605 . . . . 0.0 115.257 -175.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -154.28 159.27 41.17 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.13 1.372 . . . . 0.0 112.866 -168.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -153.2 42.21 0.58 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.627 1.171 . . . . 0.0 112.508 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.0 14.13 65.32 Favored Glycine 0 CA--C 1.541 1.689 0 O-C-N 120.953 -1.092 . . . . 0.0 113.96 -170.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -154.67 142.98 20.45 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.51 2.724 . . . . 0.0 109.136 -167.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -70.22 126.32 29.31 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.575 0.703 . . . . 0.0 111.375 174.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 12.9 t0 -66.79 138.24 57.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.351 1.46 . . . . 0.0 111.713 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 t -58.33 -26.68 63.37 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.585 -1.322 . . . . 0.0 112.66 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.39 -27.68 69.47 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.703 1.601 . . . . 0.0 114.901 173.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.421 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.4 m95 -99.99 -31.98 11.19 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.133 0.879 . . . . 0.0 112.42 176.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -53.94 -47.48 71.22 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.111 1.364 . . . . 0.0 109.98 171.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -33.01 74.92 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.821 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.72 -47.9 61.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.604 1.162 . . . . 0.0 111.921 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.7 -41.49 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.647 -0.658 . . . . 0.0 111.989 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -65.04 -36.85 85.69 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.832 -1.167 . . . . 0.0 112.759 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.45 -42.24 86.95 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.204 1.002 . . . . 0.0 112.14 167.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.25 -44.78 87.07 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 119.145 0.884 . . . . 0.0 111.049 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.3 mmm -62.63 -48.88 77.44 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.1 p -70.61 -27.69 64.27 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.9 t -74.33 -28.43 61.15 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.276 0.944 . . . . 0.0 112.275 175.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.99 23.33 55.72 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.567 -0.708 . . . . 0.0 113.009 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.0 t -58.9 147.11 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.847 1.659 . . . . 0.0 110.367 170.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.5 m -61.28 101.12 0.15 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.767 0.827 . . . . 0.0 112.755 -174.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -62.59 -25.81 68.27 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.549 1.14 . . . . 0.0 113.572 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -65.87 -37.37 85.98 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -63.36 -33.83 76.39 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 119.023 -0.513 . . . . 0.0 111.175 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -56.44 16.82 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.807 0.843 . . . . 0.0 111.164 174.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -64.29 -51.12 65.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.89 0.876 . . . . 0.0 113.173 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -65.89 -38.52 88.97 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -68.96 -33.58 73.93 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.116 0.871 . . . . 0.0 111.946 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -54.55 45.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.185 0.594 . . . . 0.0 111.13 171.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.12 -36.49 82.02 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -54.86 -54.64 39.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.855 0.862 . . . . 0.0 112.161 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -67.35 -36.8 82.13 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 118.333 -0.842 . . . . 0.0 112.67 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -55.83 -52.41 64.14 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.605 1.548 . . . . 0.0 110.811 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -73.82 -13.16 60.89 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -91.56 -49.73 6.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.226 1.41 . . . . 0.0 112.78 169.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -82.45 -51.82 7.47 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.641 2.376 . . . . 0.0 113.155 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -89.0 -33.0 17.34 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.503 0.721 . . . . 0.0 111.447 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.9 39.03 20.82 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.198 1.399 . . . . 0.0 112.398 174.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -57.66 136.3 56.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.379 1.472 . . . . 0.0 111.326 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -85.86 -17.94 34.22 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 126.758 2.023 . . . . 0.0 112.154 -176.712 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -73.17 -22.47 60.48 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -69.05 147.77 51.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.17 0.988 . . . . 0.0 112.964 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 24.6 ptp -152.1 -4.95 0.24 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.51 1.524 . . . . 0.0 113.741 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -59.92 126.8 28.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.66 1.584 . . . . 0.0 111.864 -175.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . 0.285 94.4 m-85 57.84 14.97 2.77 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 117.132 2.271 . . . . 0.0 117.132 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -76.65 51.22 0.73 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.731 1.212 . . . . 0.0 111.494 166.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.79 -10.1 75.34 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.937 1.256 . . . . 0.0 114.177 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.8 149.7 37.87 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.795 1.638 . . . . 0.0 111.814 171.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -135.58 141.23 45.11 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.944 1.698 . . . . 0.0 110.375 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.407 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 9.0 t0 -67.52 137.01 55.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.667 0.787 . . . . 0.0 112.192 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 37.8 t -56.78 -28.67 61.67 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.87 -1.144 . . . . 0.0 112.753 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.38 -25.6 68.09 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.407 ' CD1' ' HB3' ' B' ' 11' ' ' ASP . 2.2 m95 -103.17 -31.25 10.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.26 1.024 . . . . 0.0 112.435 176.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -53.31 -46.34 69.35 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.052 1.341 . . . . 0.0 109.802 170.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -35.13 79.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.234 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -68.08 -48.22 66.13 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.03 1.332 . . . . 0.0 111.795 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.19 -41.34 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.892 -0.505 . . . . 0.0 112.002 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -65.23 -40.06 93.58 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.293 -0.879 . . . . 0.0 110.888 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.72 -41.13 81.15 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.295 1.038 . . . . 0.0 112.475 170.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.48 90.95 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 119.243 0.928 . . . . 0.0 111.074 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 2.1 mmm -61.74 -46.12 90.97 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -80.22 -27.13 38.83 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.6 t -81.5 1.78 31.87 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 25.36 73.63 Favored Glycine 0 CA--C 1.537 1.443 0 O-C-N 120.69 -1.256 . . . . 0.0 113.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.3 148.25 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 110.817 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.5 m -57.55 99.77 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.901 1.28 . . . . 0.0 113.085 -175.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -60.32 -31.87 70.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.12 0.968 . . . . 0.0 112.861 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -64.02 -35.98 82.48 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.185 1.394 . . . . 0.0 113.753 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -64.04 -34.92 79.12 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.135 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -52.38 66.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.954 0.797 . . . . 0.0 111.493 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -64.13 -50.89 66.47 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -64.16 -44.74 91.18 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 119.196 -0.43 . . . . 0.0 111.842 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -26.83 63.81 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.479 1.036 . . . . 0.0 113.023 176.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -56.19 24.43 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.504 1.047 . . . . 0.0 110.875 168.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -67.9 -34.8 77.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.768 0.427 . . . . 0.0 112.056 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -56.25 -54.44 45.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.997 0.919 . . . . 0.0 112.677 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -66.93 -35.86 80.95 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 118.181 -0.914 . . . . 0.0 112.254 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.04 -51.22 68.59 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 120.934 1.697 . . . . 0.0 110.488 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -75.03 -3.98 35.7 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -46.43 5.0 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.73 1.612 . . . . 0.0 112.466 170.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -55.58 4.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 127.081 2.152 . . . . 0.0 112.625 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.4 t -85.89 -37.05 19.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.729 0.812 . . . . 0.0 111.585 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.18 37.61 28.48 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.797 1.239 . . . . 0.0 112.065 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -61.64 140.99 58.09 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.332 1.453 . . . . 0.0 112.372 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -82.77 -15.54 51.34 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.554 2.342 . . . . 0.0 111.043 178.127 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -66.13 -22.21 66.38 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.125 0.97 . . . . 0.0 112.978 171.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -133.57 169.64 16.69 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.307 2.243 . . . . 0.0 110.193 168.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.4 156.03 38.66 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.872 0.869 . . . . 0.0 111.944 175.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -69.05 -13.98 62.76 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.686 1.195 . . . . 0.0 113.832 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.406 ' CD1' ' HB3' ' D' ' 22' ' ' MET . 11.3 t80 -147.6 144.03 28.15 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.825 1.65 . . . . 0.0 110.69 174.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -149.47 49.97 0.95 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.29 1.036 . . . . 0.0 111.885 -174.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.34 17.18 72.09 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.214 0.912 . . . . 0.0 114.554 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -145.17 129.02 17.35 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.03 1.732 . . . . 0.0 110.817 -172.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.31 136.83 46.34 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.566 1.146 . . . . 0.0 110.986 176.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -77.46 21.17 0.27 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.187 2.292 . . . . 0.0 117.187 -164.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m 63.54 -32.84 0.12 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 130.18 3.392 . . . . 0.0 115.81 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -63.98 -47.97 78.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 126.037 1.735 . . . . 0.0 110.983 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -74.05 -27.43 60.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.658 0.783 . . . . 0.0 111.672 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.17 -51.79 58.96 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.189 1.795 . . . . 0.0 110.808 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -65.2 -28.25 69.25 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.567 176.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.44 -48.71 63.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.478 1.111 . . . . 0.0 113.645 172.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -64.76 -39.72 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 120.674 -1.266 . . . . 0.0 111.837 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -64.48 -37.95 89.31 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.756 1.222 . . . . 0.0 112.232 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.98 -41.66 83.45 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.42 1.088 . . . . 0.0 112.301 167.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.61 78.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.76 1.164 . . . . 0.0 111.558 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -60.52 -37.68 81.92 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 57.3 p -85.99 -31.2 22.18 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.86 8.49 19.96 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.664 1.12 . . . . 0.0 114.014 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.91 19.83 78.42 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.639 1.114 . . . . 0.0 114.569 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.21 146.06 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.761 1.625 . . . . 0.0 111.392 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 62.8 m -59.71 110.01 1.05 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.16 0.984 . . . . 0.0 112.555 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -65.98 -27.54 68.22 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.72 -36.44 82.47 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -62.99 -29.02 70.5 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -54.76 43.13 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.056 0.844 . . . . 0.0 111.216 173.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -65.16 -50.09 67.3 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.233 0.613 . . . . 0.0 112.632 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -65.94 -36.95 84.76 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -74.54 -31.77 62.22 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.398 0.999 . . . . 0.0 112.343 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.45 -53.91 50.37 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.832 0.742 . . . . 0.0 109.93 166.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -60.51 -37.0 79.72 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.503 0.721 . . . . 0.0 112.151 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -62.21 -48.56 79.46 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.701 1.2 . . . . 0.0 113.56 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -68.83 -40.9 79.19 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.053 -1.029 . . . . 0.0 111.228 175.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -54.57 -38.51 66.75 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.801 0.841 . . . . 0.0 111.138 172.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -54.29 -26.27 28.37 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 128.441 2.696 . . . . 0.0 114.484 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -121.66 -40.2 2.57 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.799 1.24 . . . . 0.0 113.257 -177.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -73.13 -22.99 60.42 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.837 1.255 . . . . 0.0 113.149 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -132.68 -26.06 1.83 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.653 1.181 . . . . 0.0 113.423 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.48 27.61 17.12 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.641 1.976 . . . . 0.0 114.092 175.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.24 -21.69 56.06 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 62.86 -37.0 0.14 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.837 2.855 . . . . 0.0 116.305 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.508 1.923 . . . . 0.0 113.698 -179.74 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -62.92 147.16 51.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.531 1.132 . . . . 0.0 112.964 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 50.1 m170 -69.68 148.33 49.42 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.897 0.879 . . . . 0.0 112.57 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 56.5 mtt -76.79 -28.35 55.59 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.369 1.068 . . . . 0.0 112.836 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -81.59 117.62 22.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.137 0.975 . . . . 0.0 110.66 171.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -85.69 160.53 19.53 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.234 1.014 . . . . 0.0 113.027 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -139.88 61.27 1.54 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.648 1.579 . . . . 0.0 110.593 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.16 -17.16 44.04 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.136 1.351 . . . . 0.0 114.361 -175.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -56.21 149.1 16.76 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.219 1.808 . . . . 0.0 111.859 169.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -138.94 135.32 34.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.352 1.061 . . . . 0.0 109.806 160.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 9.0 t0 -62.15 136.54 57.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.463 0.705 . . . . 0.0 111.928 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -56.2 -30.24 62.01 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.019 -1.051 . . . . 0.0 112.339 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -60.43 -28.27 68.14 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' TRP . . . . . 0.421 ' CD1' ' HB3' ' D' ' 11' ' ' ASP . 2.4 m95 -102.04 -31.09 10.81 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.42 1.009 . . . . 0.0 112.315 177.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -53.77 -48.69 69.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.511 1.124 . . . . 0.0 109.851 170.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -35.83 81.57 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.067 -177.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -65.91 -45.64 81.19 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.124 1.369 . . . . 0.0 111.879 176.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.01 -43.06 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 mtm105 -63.07 -38.27 90.53 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.719 -0.613 . . . . 0.0 110.492 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.97 -40.18 88.21 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.452 1.101 . . . . 0.0 113.192 170.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.85 84.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.381 0.991 . . . . 0.0 111.196 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' MET . . . . . 0.406 ' HB3' ' CD1' ' C' ' 6' ' ' TYR . 17.3 mmt -57.34 -44.65 84.46 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 173.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 82.8 p -82.97 -31.82 27.39 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.2 t -84.12 7.17 19.69 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.26 21.66 79.2 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.219 0.914 . . . . 0.0 114.405 175.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 26.2 t -67.29 145.9 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.95 1.7 . . . . 0.0 111.088 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -60.1 108.91 0.85 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.928 0.891 . . . . 0.0 111.889 -174.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -65.36 -26.76 68.16 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -173.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.13 -37.58 86.07 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 118.794 0.725 . . . . 0.0 112.496 172.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -62.38 -28.94 70.12 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.209 0.604 . . . . 0.0 112.361 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.24 -56.57 18.46 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.51 0.595 . . . . 0.0 110.548 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.19 -48.29 68.36 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.077 0.951 . . . . 0.0 113.05 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.41 -40.61 97.08 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -74.58 -32.72 62.47 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.91 0.884 . . . . 0.0 112.557 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -53.57 50.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.802 0.728 . . . . 0.0 110.273 168.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -63.99 -38.71 92.09 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.962 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -57.83 -47.76 81.72 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.727 1.149 . . . . 0.0 113.156 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -69.98 -39.55 75.87 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.02 -1.05 . . . . 0.0 112.024 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -55.77 -41.03 73.43 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.086 171.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -57.04 -19.92 21.62 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 129.312 3.045 . . . . 0.0 114.364 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -119.92 -42.9 2.58 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.708 1.603 . . . . 0.0 113.219 -173.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -80.58 -25.88 38.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.917 1.687 . . . . 0.0 113.138 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -131.59 -16.5 3.01 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.285 0.0 OUTLIER 64.64 22.1 12.55 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.769 2.028 . . . . 0.0 114.578 176.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -83.38 148.05 27.54 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.193 1.397 . . . . 0.0 111.266 159.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -79.2 -24.85 42.85 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 C--O 1.251 1.142 0 C-N-CA 128.063 2.545 . . . . 0.0 111.371 -178.437 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -70.27 174.23 5.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.47 2.308 . . . . 0.0 113.374 -2.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -59.41 153.82 18.31 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.292 1.837 . . . . 0.0 113.81 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.7 ptp -75.11 162.2 28.73 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.677 1.191 . . . . 0.0 112.745 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -77.64 41.46 0.33 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.01 1.724 . . . . 0.0 113.316 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -153.59 157.33 39.53 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.858 -1.151 . . . . 0.0 112.929 -166.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -142.25 42.17 1.64 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.23 1.412 . . . . 0.0 111.535 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.37 19.27 74.21 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.545 1.069 . . . . 0.0 114.527 -175.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -149.4 127.4 11.92 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.483 1.513 . . . . 0.0 111.468 -170.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.6 131.41 43.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.772 0.829 . . . . 0.0 109.629 173.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -77.11 24.09 0.18 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 -162.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m 63.68 -32.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 130.432 3.493 . . . . 0.0 115.883 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -62.04 -50.53 71.62 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.628 1.971 . . . . 0.0 110.395 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -75.15 -27.04 59.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.698 1.199 . . . . 0.0 111.947 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -65.95 -50.75 63.28 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.406 1.882 . . . . 0.0 111.215 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -29.5 68.87 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 118.318 -0.848 . . . . 0.0 112.405 176.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.48 -46.19 80.74 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.412 1.085 . . . . 0.0 113.142 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.5 -39.66 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 121.055 -1.028 . . . . 0.0 111.928 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -61.0 -40.26 92.83 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.09 -1.006 . . . . 0.0 112.043 170.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -40.44 80.84 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.237 1.015 . . . . 0.0 112.01 171.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -43.93 79.08 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.582 1.083 . . . . 0.0 111.685 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.9 mmm -62.63 -37.17 85.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.065 0.546 . . . . 0.0 112.163 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -87.59 -34.0 18.69 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -85.58 8.75 18.22 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.16 22.51 68.06 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.425 1.012 . . . . 0.0 115.101 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -73.68 148.03 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.098 1.359 . . . . 0.0 111.979 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.2 m -65.88 103.15 0.87 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.93 0.892 . . . . 0.0 112.923 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -60.83 -27.64 68.22 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.554 1.542 . . . . 0.0 114.137 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -65.96 -35.18 79.89 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -67.36 -30.64 70.5 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 118.778 -0.629 . . . . 0.0 111.868 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -53.39 46.56 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.301 1.04 . . . . 0.0 110.812 174.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -63.5 -50.14 70.82 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.863 0.865 . . . . 0.0 113.005 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -65.22 -36.89 85.57 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -68.88 -35.72 77.22 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.689 0.796 . . . . 0.0 111.492 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -54.79 42.03 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.505 0.722 . . . . 0.0 111.016 170.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.92 -42.98 99.15 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.409 0.549 . . . . 0.0 111.614 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.91 -52.48 60.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.3 1.04 . . . . 0.0 112.362 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.65 -39.33 77.16 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.964 0.802 . . . . 0.0 112.965 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -56.11 -49.2 74.55 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.099 1.318 . . . . 0.0 110.806 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -81.96 3.59 25.88 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.53 -46.64 4.5 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.746 -1.222 . . . . 0.0 112.486 164.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -81.03 -50.29 9.86 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 127.336 2.254 . . . . 0.0 113.772 -176.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 t -93.61 -39.79 10.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.715 0.806 . . . . 0.0 112.079 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.56 37.28 28.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.8 1.24 . . . . 0.0 112.237 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -64.99 149.67 49.4 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.389 1.476 . . . . 0.0 112.758 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -87.87 -17.33 31.67 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.002 1.721 . . . . 0.0 113.487 -178.624 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -71.08 164.44 25.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.197 0.999 . . . . 0.0 112.969 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -68.69 164.65 21.15 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.668 1.187 . . . . 0.0 113.093 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.62 146.73 54.45 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.161 0.985 . . . . 0.0 111.789 174.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -78.26 119.72 22.01 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.653 -0.654 . . . . 0.0 111.749 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -84.45 63.86 8.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 122.759 1.266 . . . . 0.0 111.599 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -75.02 8.29 2.65 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.585 1.554 . . . . 0.0 113.652 169.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.34 -31.5 0.38 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.665 1.602 . . . . 0.0 114.034 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -64.22 147.6 51.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.275 1.038 . . . . 0.0 112.641 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -140.28 141.29 35.81 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.373 1.469 . . . . 0.0 110.509 165.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -63.48 139.48 58.77 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.277 0.56 . . . . 0.0 112.097 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.2 p -58.1 -31.03 66.73 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.798 -1.189 . . . . 0.0 113.407 -176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.34 -28.18 69.83 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.331 1.853 . . . . 0.0 114.789 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -99.95 -31.87 11.25 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.231 0.923 . . . . 0.0 112.16 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -54.32 -49.96 68.48 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.232 1.013 . . . . 0.0 109.552 170.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -35.01 77.94 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.769 -0.634 . . . . 0.0 112.293 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -65.94 -45.55 81.4 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.829 1.251 . . . . 0.0 112.457 175.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 p -69.81 -42.38 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtm105 -60.72 -39.1 87.35 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.779 0.832 . . . . 0.0 110.29 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.84 -41.68 96.29 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.512 1.125 . . . . 0.0 113.258 169.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.89 97.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 119.544 1.065 . . . . 0.0 110.968 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.2 mmt -60.29 -52.44 65.28 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 173.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -73.89 -30.85 62.83 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.37 8.44 27.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.866 1.266 . . . . 0.0 113.517 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.69 26.1 70.43 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.515 1.055 . . . . 0.0 115.184 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.9 149.39 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.126 1.37 . . . . 0.0 112.138 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.0 m -56.1 110.0 0.68 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.524 1.13 . . . . 0.0 112.351 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.89 -39.61 95.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.547 0.739 . . . . 0.0 112.141 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -61.57 -35.77 78.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.402 1.481 . . . . 0.0 113.924 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -62.7 -34.84 77.96 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.635 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -51.1 68.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.27 0.941 . . . . 0.0 111.491 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -64.59 -49.2 72.06 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.17 0.988 . . . . 0.0 112.853 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -63.81 -43.14 97.15 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 118.862 -0.59 . . . . 0.0 112.023 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -33.54 76.02 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.5 1.046 . . . . 0.0 112.32 173.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -57.08 13.8 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.242 0.928 . . . . 0.0 111.332 171.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -68.95 -34.43 75.35 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -56.98 -52.68 64.28 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.368 -0.833 . . . . 0.0 112.458 170.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -64.23 -41.29 97.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.705 175.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -56.73 -51.11 70.13 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.517 1.508 . . . . 0.0 111.089 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -83.6 -0.69 51.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -176.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -47.47 5.64 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.598 1.159 . . . . 0.0 112.635 160.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -42.58 13.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.469 1.908 . . . . 0.0 113.575 -165.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 27.6 t -95.09 -31.44 13.56 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.098 0.959 . . . . 0.0 111.578 168.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.12 52.46 7.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.658 1.583 . . . . 0.0 111.952 173.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -69.86 91.37 0.64 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.07 1.748 . . . . 0.0 112.26 -169.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.07 148.37 44.38 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.031 0.932 . . . . 0.0 112.587 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.864 1.666 . . . . 0.0 112.358 -178.809 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.534 -0.627 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -70.68 156.81 39.01 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.506 1.122 . . . . 0.0 112.982 176.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -70.57 145.88 50.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.085 0.954 . . . . 0.0 112.191 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 34.7 mmt -73.65 149.19 42.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.766 0.827 . . . . 0.0 112.107 175.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -78.14 -12.95 60.03 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -78.61 150.47 32.7 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.386 1.474 . . . . 0.0 113.668 -171.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -147.82 44.36 1.09 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.722 1.209 . . . . 0.0 112.419 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.68 20.19 77.14 Favored Glycine 0 CA--C 1.539 1.547 0 O-C-N 121.257 -0.902 . . . . 0.0 114.624 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -151.47 128.22 10.89 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.043 1.737 . . . . 0.0 110.422 -170.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.4 126.75 30.48 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 111.29 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -67.62 130.57 43.44 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.272 1.029 . . . . 0.0 110.531 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.8 m -57.41 -25.35 59.45 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.071 -1.018 . . . . 0.0 113.541 -172.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.41 -28.31 69.6 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.277 1.831 . . . . 0.0 114.101 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -93.34 -34.11 13.62 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.472 1.033 . . . . 0.0 112.863 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.32 -46.81 72.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.79 1.236 . . . . 0.0 110.299 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -32.12 73.3 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.802 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.3 -45.66 69.06 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.487 1.115 . . . . 0.0 112.311 175.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.37 -43.04 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.57 -0.706 . . . . 0.0 111.585 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -56.07 -46.56 78.96 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.665 1.186 . . . . 0.0 112.429 170.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -58.22 -42.43 86.25 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.034 1.334 . . . . 0.0 112.958 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.96 91.21 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.465 -0.772 . . . . 0.0 111.636 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 4.6 mmm -59.62 -41.65 90.91 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 70.1 p -80.35 -30.47 38.0 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -82.93 6.99 16.72 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.42 18.26 79.29 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.888 0.756 . . . . 0.0 114.418 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 17.3 t -62.4 144.86 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.469 1.508 . . . . 0.0 110.82 176.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 74.2 m -58.65 112.67 1.7 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.813 0.845 . . . . 0.0 111.677 -175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -63.53 -32.54 74.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.69 0.796 . . . . 0.0 112.218 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -65.92 -37.3 85.71 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.522 1.129 . . . . 0.0 113.432 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -63.12 -29.08 70.51 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -176.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.33 -46.69 87.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.281 0.946 . . . . 0.0 111.661 172.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -64.71 -48.23 75.4 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.663 0.665 . . . . 0.0 112.218 172.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.9 -36.3 83.93 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -29.68 58.32 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 120.215 1.37 . . . . 0.0 112.001 173.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -50.94 69.82 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.924 0.784 . . . . 0.0 110.454 165.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -60.47 -41.85 95.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.393 0.677 . . . . 0.0 112.09 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -57.55 -51.15 70.66 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.054 1.341 . . . . 0.0 112.529 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -71.72 -38.3 70.52 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.765 -0.584 . . . . 0.0 111.789 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -55.79 -37.54 68.72 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.222 0.919 . . . . 0.0 111.244 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.58 -17.97 17.07 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.553 2.741 . . . . 0.0 115.295 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -128.14 -40.9 1.63 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.139 1.375 . . . . 0.0 113.437 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -75.29 -22.62 57.61 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.961 1.304 . . . . 0.0 113.006 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 32.3 t -128.49 -22.9 3.27 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.732 1.213 . . . . 0.0 113.331 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.312 0.0 OUTLIER 64.11 36.51 9.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.035 2.134 . . . . 0.0 113.961 -178.206 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -67.58 160.35 27.97 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.666 1.187 . . . . 0.0 111.964 163.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -134.64 171.48 14.28 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.313 1.845 . . . . 0.0 111.898 -171.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 . . . . . 0 N--CA 1.485 1.3 0 C-N-CA 127.382 2.273 . . . . 0.0 115.024 177.802 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -74.25 -18.05 60.79 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -153.67 160.81 42.48 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.967 1.707 . . . . 0.0 111.597 -175.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 25.2 ptp -155.14 154.06 31.75 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.199 1.4 . . . . 0.0 111.738 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -83.18 171.45 13.65 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.116 0.967 . . . . 0.0 112.233 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -69.3 -33.58 73.38 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 36.4 t0 47.88 35.05 4.43 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.623 1.969 . . . . 0.0 114.401 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.45 -5.07 85.65 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.835 1.207 . . . . 0.0 115.872 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -82.14 157.17 24.14 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.174 1.487 . . . . 0.0 111.047 166.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -128.36 144.78 51.18 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.249 1.419 . . . . 0.0 111.559 174.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -69.25 137.1 52.84 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.624 0.769 . . . . 0.0 112.071 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.7 t -56.75 -30.15 63.28 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.645 -1.284 . . . . 0.0 113.059 -177.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.89 -24.17 67.63 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -105.62 -29.52 10.08 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.469 1.108 . . . . 0.0 112.577 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -53.77 -48.54 69.64 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.55 1.14 . . . . 0.0 109.308 169.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -37.52 83.18 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.568 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.04 -50.0 67.91 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.979 1.311 . . . . 0.0 111.928 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.82 -41.15 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.701 0.682 . . . . 0.0 112.65 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 mtm105 -63.91 -42.42 97.42 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.518 -0.739 . . . . 0.0 110.304 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.04 -37.53 77.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.137 1.375 . . . . 0.0 113.266 172.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.97 78.12 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.218 -0.927 . . . . 0.0 111.253 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mmm -60.9 -36.53 79.47 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 80.8 p -83.19 -32.87 26.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -83.4 8.31 14.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.696 1.135 . . . . 0.0 114.037 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.94 18.76 76.51 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.358 0.98 . . . . 0.0 114.279 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 28.9 t -64.42 142.38 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.267 1.427 . . . . 0.0 110.662 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 75.3 m -58.38 112.98 1.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.049 0.94 . . . . 0.0 111.747 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -63.49 -25.92 68.48 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -172.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -70.22 -34.49 72.95 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.808 0.843 . . . . 0.0 113.27 171.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -62.28 -25.53 67.9 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 123.457 0.703 . . . . 0.0 112.588 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.16 -59.65 4.38 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.567 0.621 . . . . 0.0 111.167 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -63.11 -47.36 83.14 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.741 0.817 . . . . 0.0 112.838 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -66.36 -36.25 82.41 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -72.11 -35.6 69.2 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.063 -1.023 . . . . 0.0 112.017 171.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.28 -49.36 69.77 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.632 -0.668 . . . . 0.0 110.431 170.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.52 -45.85 92.47 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.923 1.289 . . . . 0.0 112.453 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.09 -47.1 68.81 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.871 1.268 . . . . 0.0 112.277 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -74.4 -46.36 40.7 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 175.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.1 -35.15 61.82 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 117.767 -1.111 . . . . 0.0 111.208 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.56 -23.34 10.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.286 2.234 . . . . 0.0 114.615 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -127.24 -38.12 2.0 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.131 1.772 . . . . 0.0 113.109 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -67.93 -21.27 65.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.768 1.227 . . . . 0.0 113.268 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 45.5 p -138.4 -29.32 0.81 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.26 19.42 10.1 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.124 1.77 . . . . 0.0 113.923 -174.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -69.72 -33.79 72.98 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.701 -1.249 . . . . 0.0 113.519 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 58.94 25.16 13.41 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.354 1.462 . . . . 0.0 113.235 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 127.133 2.173 . . . . 0.0 112.359 -172.63 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -78.54 127.96 32.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.89 0.876 . . . . 0.0 111.203 172.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -140.79 154.33 46.21 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.291 1.436 . . . . 0.0 111.822 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.4 mtm -71.9 154.88 40.94 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.651 1.181 . . . . 0.0 112.806 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -71.88 -7.59 49.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.541 1.536 . . . . 0.0 113.987 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -146.97 144.89 29.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.228 1.811 . . . . 0.0 110.811 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -148.34 55.84 1.04 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.051 0.94 . . . . 0.0 112.416 -173.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.47 17.63 72.8 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.226 0.917 . . . . 0.0 115.149 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -145.11 126.76 15.17 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.872 1.669 . . . . 0.0 110.698 -173.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.0 131.32 42.76 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.49 0.662 . . . . 0.0 111.366 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -69.2 131.67 45.3 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.168 0.987 . . . . 0.0 110.365 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -57.17 -25.62 59.27 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.138 -0.976 . . . . 0.0 113.301 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.66 -26.02 68.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.332 1.853 . . . . 0.0 114.885 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -99.54 -32.93 10.86 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.273 0.942 . . . . 0.0 112.845 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -53.9 -46.6 71.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.341 1.457 . . . . 0.0 110.119 171.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -32.4 73.93 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 118.666 -0.683 . . . . 0.0 112.476 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.5 mt -70.98 -50.0 39.18 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.813 1.245 . . . . 0.0 111.825 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.88 -42.32 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.874 -0.516 . . . . 0.0 111.773 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.0 ttp180 -62.58 -41.97 99.27 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.883 1.273 . . . . 0.0 112.506 175.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.8 -43.91 85.95 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.991 0.916 . . . . 0.0 112.636 170.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.97 97.81 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.549 0.613 . . . . 0.0 111.212 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.4 mmm -61.65 -44.25 97.32 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.1 p -81.71 -31.61 32.04 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -86.0 6.08 30.4 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.78 18.06 71.24 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.599 1.095 . . . . 0.0 115.492 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.1 t -68.44 149.85 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.465 1.506 . . . . 0.0 112.106 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.2 m -63.67 97.58 0.16 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.484 1.114 . . . . 0.0 112.695 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -60.07 -27.99 67.43 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.891 1.676 . . . . 0.0 113.862 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -61.25 -36.77 80.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.302 1.041 . . . . 0.0 113.576 169.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -65.64 -34.56 78.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 118.983 -0.532 . . . . 0.0 111.869 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -56.28 -49.37 74.42 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.744 0.702 . . . . 0.0 110.666 173.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -62.92 -53.16 58.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -61.96 -42.8 99.53 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 117.896 0.316 . . . . 0.0 111.35 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.13 -33.8 75.16 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.593 0.757 . . . . 0.0 112.253 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.32 -54.47 46.47 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.655 0.782 . . . . 0.0 111.054 173.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -69.24 -35.65 76.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 122.984 0.514 . . . . 0.0 112.182 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -55.18 -53.41 56.35 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.872 0.869 . . . . 0.0 112.199 167.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -65.79 -36.97 85.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 118.108 -0.949 . . . . 0.0 112.577 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -56.29 -50.69 70.68 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.647 1.567 . . . . 0.0 110.079 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -77.32 -12.73 59.99 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.81 -46.57 8.85 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.623 1.556 . . . . 0.0 113.035 167.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -83.29 -52.4 6.6 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.433 2.293 . . . . 0.0 113.313 -174.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -93.17 -35.04 13.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.087 0.955 . . . . 0.0 112.156 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.2 53.5 8.87 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.61 1.564 . . . . 0.0 112.389 171.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -73.54 49.13 0.28 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.951 2.1 . . . . 0.0 114.848 -170.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.75 138.96 55.28 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.517 1.127 . . . . 0.0 111.527 172.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.894 1.678 . . . . 0.0 112.175 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -80.27 139.83 36.48 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.833 0.853 . . . . 0.0 111.211 167.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -144.92 157.52 44.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.487 1.515 . . . . 0.0 111.43 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -65.22 135.61 55.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.334 1.054 . . . . 0.0 112.196 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -82.68 162.62 21.77 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.416 1.086 . . . . 0.0 112.68 177.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -80.38 163.78 23.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.276 1.03 . . . . 0.0 112.405 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -136.23 54.81 1.88 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.473 1.509 . . . . 0.0 110.96 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.93 -22.02 8.76 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.401 1.476 . . . . 0.0 114.671 -177.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -62.7 154.76 28.42 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.978 1.311 . . . . 0.0 111.62 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -133.21 135.67 45.17 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.049 1.339 . . . . 0.0 110.046 170.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -62.41 137.45 58.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.631 0.772 . . . . 0.0 112.32 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 42.3 t -57.54 -30.53 65.27 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.124 -0.985 . . . . 0.0 112.832 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.63 -26.19 67.84 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -103.21 -31.59 10.03 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.254 1.022 . . . . 0.0 112.218 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -53.39 -49.15 67.85 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.851 1.26 . . . . 0.0 109.448 169.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -34.79 77.96 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.54 -48.62 71.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.534 1.134 . . . . 0.0 111.82 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.41 -41.5 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.629 -0.669 . . . . 0.0 112.802 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -62.65 -41.86 99.28 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.41 -0.807 . . . . 0.0 110.669 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.06 -41.75 84.02 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.589 1.156 . . . . 0.0 112.302 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.44 94.24 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 118.865 0.757 . . . . 0.0 111.405 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.9 mmm -63.05 -42.81 99.8 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 81.8 p -77.92 -28.12 49.6 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.8 t -74.09 -27.3 60.82 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.906 0.775 . . . . 0.0 112.474 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.54 26.6 46.18 Favored Glycine 0 CA--C 1.536 1.402 0 O-C-N 121.379 -0.826 . . . . 0.0 112.841 -169.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 t -63.08 151.35 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.175 1.79 . . . . 0.0 110.952 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 55.7 m -60.96 96.49 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.114 0.966 . . . . 0.0 112.848 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -61.43 -27.67 68.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.633 1.173 . . . . 0.0 113.432 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -66.13 -35.59 80.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.108 1.363 . . . . 0.0 114.202 170.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -67.63 -29.48 68.8 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.226 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.22 -59.34 4.51 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.738 0.699 . . . . 0.0 110.36 173.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.79 -48.31 79.66 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.449 1.1 . . . . 0.0 113.359 -176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -65.2 -41.62 94.35 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 117.995 0.361 . . . . 0.0 111.516 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -68.35 -36.36 79.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.745 0.702 . . . . 0.0 112.249 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -54.74 39.37 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.794 1.238 . . . . 0.0 110.512 174.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.81 -35.45 72.52 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.82 0.848 . . . . 0.0 111.872 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.3 -49.77 71.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.177 0.991 . . . . 0.0 112.324 167.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -67.7 -39.14 84.41 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.32 0.964 . . . . 0.0 112.739 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -55.34 -46.57 76.39 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.63 1.559 . . . . 0.0 109.932 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -81.71 3.83 24.12 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -105.93 -47.71 3.8 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.172 1.389 . . . . 0.0 112.733 165.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.12 -47.73 41.7 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.741 2.016 . . . . 0.0 112.572 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -117.12 -27.93 6.36 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -166.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.16 36.74 27.95 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.35 1.46 . . . . 0.0 113.37 170.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -66.28 140.81 58.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.368 1.467 . . . . 0.0 113.308 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -80.08 -21.06 43.77 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.809 2.044 . . . . 0.0 112.919 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -65.84 152.89 43.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.746 1.218 . . . . 0.0 113.188 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -68.07 -33.98 75.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 70.1 mtm 58.96 18.61 6.37 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.187 1.795 . . . . 0.0 115.476 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -81.57 2.78 27.69 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.322 1.449 . . . . 0.0 113.52 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -154.3 153.78 32.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.251 1.421 . . . . 0.0 111.996 -164.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -147.21 45.96 1.15 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.569 1.147 . . . . 0.0 112.298 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.22 19.51 75.85 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.177 0.894 . . . . 0.0 114.795 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -149.48 127.94 12.27 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.737 1.615 . . . . 0.0 110.956 -170.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.69 124.87 25.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.678 0.751 . . . . 0.0 110.535 172.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.27 140.54 58.14 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.355 1.062 . . . . 0.0 111.167 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 90.1 p -57.88 -28.92 64.62 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.969 -1.082 . . . . 0.0 113.101 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.21 -28.66 69.83 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.751 2.02 . . . . 0.0 114.5 175.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -100.62 -32.5 10.72 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.372 0.987 . . . . 0.0 112.449 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.16 -47.03 72.41 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.741 1.216 . . . . 0.0 110.03 170.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -31.72 72.72 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.608 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.69 -46.63 65.6 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.792 1.237 . . . . 0.0 112.015 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.17 -40.95 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 120.26 -0.576 . . . . 0.0 112.004 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 32.1 mtm105 -60.57 -41.77 95.31 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.09 -1.006 . . . . 0.0 111.761 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.96 -40.64 81.08 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.44 1.096 . . . . 0.0 112.564 173.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.02 85.4 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.605 -0.684 . . . . 0.0 110.729 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mmm -61.74 -38.31 87.48 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -81.68 -32.27 31.82 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 14.7 t -77.97 -3.43 41.94 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.17 23.03 76.31 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 120.592 -1.318 . . . . 0.0 113.452 -175.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.97 145.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.742 1.617 . . . . 0.0 110.136 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 58.0 m -57.39 109.01 0.61 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.793 0.837 . . . . 0.0 111.936 -171.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -65.15 -27.21 68.57 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -172.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.0 -39.65 87.17 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.661 0.784 . . . . 0.0 112.639 171.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -59.91 -28.8 67.9 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.306 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -51.2 63.7 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.9 1.227 . . . . 0.0 111.477 173.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -66.54 -47.2 73.61 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.392 0.677 . . . . 0.0 112.692 173.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -63.51 -42.98 98.47 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -32.36 68.45 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.767 1.227 . . . . 0.0 112.724 173.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -54.02 47.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.438 1.017 . . . . 0.0 110.413 166.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.8 -38.53 91.43 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.439 -0.791 . . . . 0.0 112.237 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.34 -51.96 65.06 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.189 1.396 . . . . 0.0 112.241 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -71.57 -40.32 70.03 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.704 -0.622 . . . . 0.0 112.18 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -54.11 -39.11 66.11 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.318 0.963 . . . . 0.0 111.25 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -54.86 -26.04 32.71 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 128.0 2.52 . . . . 0.0 114.222 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -117.6 -42.47 2.86 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.413 1.485 . . . . 0.0 113.652 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -72.9 -24.2 60.8 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.311 1.444 . . . . 0.0 113.102 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 42.0 t -129.76 -27.55 2.32 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.587 1.155 . . . . 0.0 113.54 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.01 40.83 11.8 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.067 1.747 . . . . 0.0 113.248 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -61.36 105.23 0.48 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.269 1.027 . . . . 0.0 110.371 166.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -79.07 -25.34 43.12 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.132 0.973 . . . . 0.0 113.269 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 C--O 1.253 1.252 0 C-N-CA 126.847 2.059 . . . . 0.0 112.546 -178.318 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -63.49 150.81 42.92 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.754 1.221 . . . . 0.0 113.323 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -151.45 153.47 34.72 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.273 1.429 . . . . 0.0 112.162 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -15.8 61.04 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.552 1.141 . . . . 0.0 113.531 172.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.03 151.86 45.05 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.121 0.969 . . . . 0.0 112.226 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -70.78 149.74 46.58 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.908 1.283 . . . . 0.0 113.028 -174.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -149.46 64.94 1.01 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.457 1.503 . . . . 0.0 110.84 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.36 -18.47 23.53 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.7 1.143 . . . . 0.0 114.703 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.56 144.88 56.89 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.622 1.569 . . . . 0.0 111.153 165.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -134.99 137.01 42.61 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.156 1.383 . . . . 0.0 110.123 167.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -63.76 131.89 49.26 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.022 0.529 . . . . 0.0 111.434 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.9 m -58.64 -24.04 60.32 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.951 -1.093 . . . . 0.0 113.828 -171.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.57 -31.61 72.45 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.206 1.802 . . . . 0.0 114.275 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -95.17 -31.78 13.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.361 0.982 . . . . 0.0 112.23 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -55.51 -47.87 75.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.984 1.714 . . . . 0.0 110.71 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -32.49 74.08 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.405 -0.81 . . . . 0.0 112.955 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.27 -47.77 63.65 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.712 1.205 . . . . 0.0 112.025 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.48 -40.54 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 O-C-N 121.455 -0.778 . . . . 0.0 112.484 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -63.48 -41.31 98.58 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.479 -0.763 . . . . 0.0 110.887 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.01 -38.24 75.79 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.554 1.142 . . . . 0.0 112.952 171.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.1 79.73 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 121.367 -0.833 . . . . 0.0 111.176 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.4 mmm -62.15 -40.49 96.14 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 81.4 p -78.26 -35.58 47.94 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 5.8 t -79.91 5.44 13.83 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.49 22.53 76.53 Favored Glycine 0 CA--C 1.537 1.408 0 O-C-N 121.089 -1.007 . . . . 0.0 113.936 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -65.11 143.93 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.44 1.496 . . . . 0.0 110.743 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 74.1 m -58.24 110.75 1.01 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.817 0.847 . . . . 0.0 112.102 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -65.36 -27.78 68.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -67.64 -42.84 81.63 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 118.592 0.633 . . . . 0.0 111.874 170.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -60.94 -28.33 68.88 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -55.86 21.18 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.998 0.817 . . . . 0.0 111.107 170.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -66.0 -47.36 74.76 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.32 1.048 . . . . 0.0 113.005 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.18 -37.52 87.6 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.39 -34.34 63.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.271 1.028 . . . . 0.0 111.887 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.15 -52.32 59.12 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.659 -0.651 . . . . 0.0 110.378 166.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -65.18 -36.77 85.25 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.295 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -57.9 -48.84 78.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.732 1.213 . . . . 0.0 112.351 174.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -69.47 -42.99 74.12 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.729 -0.607 . . . . 0.0 111.74 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -52.53 -43.43 65.14 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.089 0.859 . . . . 0.0 110.663 173.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -53.59 -21.64 7.03 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 128.533 2.733 . . . . 0.0 114.636 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -129.08 -37.83 1.66 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.853 1.661 . . . . 0.0 113.697 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -75.58 -28.2 58.86 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.129 1.372 . . . . 0.0 113.047 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 92.4 p -133.53 -16.04 2.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.413 1.085 . . . . 0.0 113.696 175.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.263 0.0 OUTLIER 63.83 18.62 11.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.388 2.275 . . . . 0.0 114.403 177.328 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -80.4 145.09 32.17 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.336 -0.853 . . . . 0.0 110.93 158.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -92.52 -1.59 56.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.351 1.06 . . . . 0.0 113.044 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 127.627 2.371 . . . . 0.0 111.223 -170.607 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -154.57 -178.79 7.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.33 1.452 . . . . 0.0 111.586 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -55.42 157.0 4.04 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.309 1.844 . . . . 0.0 113.518 173.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.7 mtm -141.01 157.11 45.79 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.269 1.428 . . . . 0.0 112.189 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -73.18 177.6 4.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.855 1.262 . . . . 0.0 112.409 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.4 t80 68.58 -31.53 0.2 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 128.189 2.596 . . . . 0.0 117.682 170.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.3 t0 49.35 31.53 3.89 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.641 2.377 . . . . 0.0 114.936 171.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.54 18.52 75.59 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.759 1.171 . . . . 0.0 115.993 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -138.57 130.2 27.71 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.359 1.579 . . . . 0.0 112.211 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.66 128.07 35.16 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.3 t0 -66.82 137.62 56.74 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.927 1.291 . . . . 0.0 111.438 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -57.4 -29.08 63.81 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.942 -1.099 . . . . 0.0 112.317 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -60.67 -26.84 67.39 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.806 1.642 . . . . 0.0 115.372 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.421 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.6 m95 -102.63 -32.06 10.07 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.277 0.944 . . . . 0.0 112.575 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.5 -47.27 70.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.27 1.428 . . . . 0.0 110.001 170.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -35.16 79.89 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.499 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -67.63 -50.4 58.22 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.505 1.122 . . . . 0.0 111.688 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.71 -42.26 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.793 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 ttp-105 -61.55 -41.65 97.68 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.415 -0.803 . . . . 0.0 112.143 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.11 -40.72 81.93 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.578 1.151 . . . . 0.0 113.088 171.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.43 86.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.469 1.031 . . . . 0.0 111.389 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.2 mmm -62.71 -40.65 97.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.5 p -80.15 -37.27 33.82 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -84.13 5.81 24.78 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.17 17.81 80.17 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.51 1.052 . . . . 0.0 114.996 173.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 t -64.41 150.27 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.187 1.795 . . . . 0.0 111.762 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -61.21 96.61 0.05 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.842 1.257 . . . . 0.0 112.921 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -62.95 -25.36 68.32 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.498 1.119 . . . . 0.0 113.622 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -64.06 -34.55 78.27 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.076 1.35 . . . . 0.0 114.232 169.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -67.22 -32.33 73.32 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 118.879 -0.582 . . . . 0.0 111.899 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.57 -59.55 4.32 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.392 0.677 . . . . 0.0 110.855 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -61.53 -48.08 82.68 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.227 1.011 . . . . 0.0 113.214 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -65.9 -42.36 90.32 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.71 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -66.39 -36.32 82.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.063 0.847 . . . . 0.0 112.068 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.82 39.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.981 1.312 . . . . 0.0 110.635 174.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -69.3 -35.44 76.0 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.455 0.702 . . . . 0.0 112.281 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -54.33 46.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.669 169.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -64.75 -38.59 91.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.941 1.246 . . . . 0.0 112.584 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -54.75 -47.2 74.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 120.422 1.465 . . . . 0.0 109.912 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -76.67 -30.32 56.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -76.39 -41.29 48.4 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 121.075 1.761 . . . . 0.0 112.338 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -81.6 -50.51 9.26 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.051 2.14 . . . . 0.0 113.287 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 m -109.86 -27.5 9.24 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -171.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . 0.264 0.0 OUTLIER 52.19 62.42 2.71 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.618 1.967 . . . . 0.0 112.598 175.1 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.12 157.97 29.81 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.941 2.096 . . . . 0.0 112.652 -175.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -139.53 154.74 47.73 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.531 1.532 . . . . 0.0 111.606 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.036 1.734 . . . . 0.0 113.242 178.652 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -66.64 150.44 49.05 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.047 0.939 . . . . 0.0 112.946 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -67.97 -25.8 65.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.122 0.969 . . . . 0.0 112.764 169.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 71.9 mtm 61.25 -50.86 0.12 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.159 2.984 . . . . 0.0 115.813 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -64.09 -29.09 70.24 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.586 1.555 . . . . 0.0 112.973 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -106.4 22.44 15.77 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.373 1.869 . . . . 0.0 114.508 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -74.24 53.28 0.5 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.18 1.392 . . . . 0.0 112.068 170.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.34 16.71 48.99 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.641 1.115 . . . . 0.0 115.032 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.54 154.71 41.74 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.31 1.844 . . . . 0.0 110.964 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -135.1 137.71 43.1 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.989 1.315 . . . . 0.0 111.687 -173.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -63.79 139.61 58.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.857 0.863 . . . . 0.0 112.548 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -58.69 -30.16 67.18 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.796 -1.19 . . . . 0.0 113.611 -175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -64.33 -25.45 68.04 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.281 1.832 . . . . 0.0 114.837 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -103.5 -31.05 10.15 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.146 0.978 . . . . 0.0 112.311 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.68 -49.35 68.18 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.287 1.035 . . . . 0.0 109.013 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -34.37 75.83 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.03 -48.36 68.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.009 1.324 . . . . 0.0 112.265 176.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -66.57 -41.83 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.428 -0.795 . . . . 0.0 112.446 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -65.91 -39.01 90.18 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.405 -0.809 . . . . 0.0 110.714 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.99 -45.79 86.23 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.014 0.926 . . . . 0.0 112.37 170.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.05 99.47 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.664 0.665 . . . . 0.0 111.711 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 2.6 mmm -62.93 -43.46 98.75 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 47.3 p -81.78 -31.62 31.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -86.9 4.24 42.25 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.88 21.49 59.34 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.45 1.024 . . . . 0.0 115.554 174.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 25.2 t -72.74 150.09 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.816 1.246 . . . . 0.0 112.127 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 51.0 m -59.16 102.23 0.12 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.948 1.299 . . . . 0.0 112.956 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -59.48 -33.81 71.8 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.067 1.347 . . . . 0.0 113.169 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -64.44 -36.21 83.43 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.045 1.338 . . . . 0.0 113.789 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -64.6 -33.41 75.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 118.828 -0.606 . . . . 0.0 111.87 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.44 -48.62 78.66 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.769 0.713 . . . . 0.0 110.715 173.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -63.62 -52.46 60.74 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -63.22 -40.64 98.03 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 117.857 0.299 . . . . 0.0 111.579 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -70.0 -32.96 71.4 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.666 -0.646 . . . . 0.0 112.323 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.69 -53.56 56.8 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.851 0.75 . . . . 0.0 110.909 172.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.24 -37.71 86.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.606 0.762 . . . . 0.0 112.035 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.64 -52.61 64.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.664 0.785 . . . . 0.0 112.806 171.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.73 -39.99 95.82 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.432 1.014 . . . . 0.0 111.663 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -56.77 -51.5 68.66 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.887 1.221 . . . . 0.0 111.025 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -78.69 -3.6 44.92 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -48.0 4.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.603 1.161 . . . . 0.0 112.616 164.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -43.97 16.0 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.21 1.804 . . . . 0.0 113.623 -169.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.4 t -98.17 -30.19 12.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.442 1.097 . . . . 0.0 111.86 173.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.79 51.52 7.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.64 1.576 . . . . 0.0 111.859 174.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -67.88 93.73 0.42 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.71 2.004 . . . . 0.0 111.792 -169.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -67.81 -24.44 65.3 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.254 1.332 0 C-N-CA 126.479 1.911 . . . . 0.0 112.399 -179.316 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.929 -0.468 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -63.46 139.4 58.77 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.956 0.902 . . . . 0.0 112.235 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -155.52 155.14 32.9 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.307 1.443 . . . . 0.0 112.036 -175.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 32.0 tpp -82.45 143.52 31.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.36 1.064 . . . . 0.0 113.302 -174.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -141.19 149.05 40.92 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.083 1.753 . . . . 0.0 109.587 166.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 61.66 -3.12 0.23 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 52.3 23.12 2.26 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 128.083 2.553 . . . . 0.0 115.525 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.83 1.51 47.25 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.43 1.014 . . . . 0.0 114.979 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -81.87 165.06 21.15 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.647 1.579 . . . . 0.0 111.055 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -127.45 141.21 51.73 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.758 1.223 . . . . 0.0 111.295 169.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -66.72 138.23 57.25 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.384 0.674 . . . . 0.0 112.065 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -58.31 -28.37 64.97 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.894 -1.128 . . . . 0.0 113.552 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.22 -24.04 65.79 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.126 1.77 . . . . 0.0 114.808 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -103.45 -32.06 9.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.936 0.894 . . . . 0.0 112.731 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.01 -46.1 68.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.419 1.487 . . . . 0.0 109.892 170.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -34.82 78.83 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.224 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.14 -48.05 63.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.881 1.273 . . . . 0.0 111.985 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.18 -41.57 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 O-C-N 121.723 -0.611 . . . . 0.0 112.169 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -63.67 -39.68 94.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.734 1.213 . . . . 0.0 112.987 174.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -61.12 -40.62 94.48 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.751 1.22 . . . . 0.0 113.098 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.6 -48.28 75.51 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.477 -0.764 . . . . 0.0 111.665 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 6.3 mmm -57.37 -44.98 84.85 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.709 0.403 . . . . 0.0 111.999 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 44.2 p -77.73 -30.76 51.82 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 3.6 t -84.83 7.86 19.34 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.88 22.16 78.41 Favored Glycine 0 CA--C 1.535 1.331 0 O-C-N 121.072 -1.017 . . . . 0.0 114.906 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.46 147.04 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.306 1.443 . . . . 0.0 111.071 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 68.3 m -58.19 111.58 1.25 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.971 0.908 . . . . 0.0 112.405 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -62.27 -31.1 71.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.491 1.117 . . . . 0.0 113.341 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -69.28 -37.06 77.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.092 0.957 . . . . 0.0 113.358 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -63.1 -29.38 70.75 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.157 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.91 -49.1 76.62 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 119.233 0.924 . . . . 0.0 111.406 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -64.91 -47.01 79.3 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 171.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.02 -37.26 87.04 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -30.29 56.93 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.699 1.136 . . . . 0.0 112.079 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -50.94 65.7 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.509 -0.744 . . . . 0.0 109.772 165.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.69 -44.62 95.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.002 0.921 . . . . 0.0 111.955 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -52.98 -48.17 67.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.415 1.486 . . . . 0.0 112.113 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -73.02 -43.13 62.47 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.662 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -54.61 -40.43 68.89 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.971 1.26 . . . . 0.0 111.516 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -54.06 -29.75 45.42 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.141 2.576 . . . . 0.0 113.728 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -116.89 -38.87 3.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.114 1.365 . . . . 0.0 113.874 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -74.22 -26.0 59.99 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.182 1.393 . . . . 0.0 113.184 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -131.43 -28.86 1.83 Allowed 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.83 64.16 1.49 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.924 1.69 . . . . 0.0 111.932 175.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -59.8 -35.66 75.13 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.81 1.244 . . . . 0.0 113.717 -166.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 58.23 27.12 14.71 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.202 1.801 . . . . 0.0 114.7 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.952 2.101 . . . . 0.0 112.176 -178.075 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -71.09 163.42 27.64 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.701 1.2 . . . . 0.0 113.115 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -148.63 166.95 26.78 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.309 1.444 . . . . 0.0 111.447 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -61.63 147.2 46.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.97 1.308 . . . . 0.0 112.906 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -139.15 151.02 46.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.041 1.736 . . . . 0.0 110.814 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -128.9 166.57 18.85 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.645 1.578 . . . . 0.0 112.217 -172.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 -118.16 13.88 13.86 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.462 1.905 . . . . 0.0 113.618 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.06 -24.53 6.29 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 126.269 1.89 . . . . 0.0 113.404 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 147.47 37.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.855 1.262 . . . . 0.0 111.664 169.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -125.03 138.52 54.21 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.416 1.086 . . . . 0.0 110.653 162.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . 0.409 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 7.1 t0 -63.85 135.93 56.98 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.926 0.89 . . . . 0.0 112.187 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 46.8 t -56.55 -29.38 61.9 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.88 -1.138 . . . . 0.0 112.614 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -64.18 -22.99 67.15 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' TRP . . . . . 0.409 ' CD1' ' HB3' ' D' ' 11' ' ' ASP . 2.0 m95 -106.54 -31.82 8.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.354 1.062 . . . . 0.0 112.761 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -51.93 -45.54 64.35 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.404 1.481 . . . . 0.0 110.041 168.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -36.19 82.81 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.325 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.87 -48.29 66.5 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.852 1.261 . . . . 0.0 111.79 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.56 -41.32 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.859 -0.526 . . . . 0.0 112.219 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -64.37 -39.4 93.8 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.975 -1.078 . . . . 0.0 112.981 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -59.61 -41.29 90.02 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.962 1.305 . . . . 0.0 112.594 170.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.57 73.96 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.627 -0.671 . . . . 0.0 112.148 174.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 5.3 mmm -58.55 -40.08 82.02 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.932 0.493 . . . . 0.0 112.107 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 41.4 p -79.94 -32.76 40.03 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -83.07 7.96 14.33 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.68 21.92 79.33 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 120.991 -1.068 . . . . 0.0 114.649 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 19.9 t -64.27 146.81 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.921 1.289 . . . . 0.0 111.126 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 71.8 m -56.82 112.34 1.28 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.306 1.042 . . . . 0.0 111.738 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -64.07 -26.89 68.75 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -70.74 -37.56 73.48 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.631 0.772 . . . . 0.0 112.639 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -59.56 -28.17 66.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.976 0.807 . . . . 0.0 112.832 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.81 -57.36 11.88 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.752 -0.642 . . . . 0.0 111.336 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -63.85 -45.1 91.01 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.37 -41.24 96.82 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.528 0.604 . . . . 0.0 111.74 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -73.23 -36.78 66.52 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.201 0.6 . . . . 0.0 112.298 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -52.79 59.67 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.122 0.569 . . . . 0.0 110.401 171.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -63.25 -41.15 99.03 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 118.634 -0.698 . . . . 0.0 111.52 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -56.57 -44.68 81.22 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.013 0.925 . . . . 0.0 112.768 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -72.38 -40.99 66.84 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.121 -0.987 . . . . 0.0 112.723 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -55.77 -41.94 74.78 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.876 1.216 . . . . 0.0 110.815 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -54.1 -31.29 51.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 128.029 2.532 . . . . 0.0 113.327 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -107.77 -42.04 4.84 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.908 1.683 . . . . 0.0 113.869 -175.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -82.46 -28.81 31.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.191 1.796 . . . . 0.0 113.218 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -122.15 -33.64 3.47 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.864 1.266 . . . . 0.0 112.884 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.0 32.79 19.89 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.924 1.69 . . . . 0.0 113.592 173.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -62.71 -29.08 70.39 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.528 1.131 . . . . 0.0 111.893 168.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -73.96 59.9 0.73 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 128.592 2.757 . . . . 0.0 111.832 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.905 1.682 . . . . 0.0 113.801 178.452 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.481 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -65.85 148.95 50.97 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.506 1.122 . . . . 0.0 113.205 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -68.35 146.0 53.66 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.222 1.009 . . . . 0.0 111.79 175.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.2 157.05 32.39 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.692 1.197 . . . . 0.0 112.488 174.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.57 -35.82 82.22 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -129.91 143.21 50.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.739 2.016 . . . . 0.0 111.61 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -91.51 46.76 1.31 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.418 1.487 . . . . 0.0 111.868 171.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.12 -4.81 69.33 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.797 1.189 . . . . 0.0 115.816 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -76.71 162.32 27.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.46 1.504 . . . . 0.0 111.717 171.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -129.38 141.85 50.96 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.173 1.389 . . . . 0.0 111.795 168.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 7.4 t0 -68.0 138.37 55.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.802 0.841 . . . . 0.0 112.444 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.8 t -55.93 -30.24 61.34 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.879 -1.138 . . . . 0.0 112.868 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -63.43 -25.44 68.28 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.402 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.3 m95 -105.29 -30.05 9.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.463 1.105 . . . . 0.0 112.209 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -53.35 -49.05 67.93 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.602 1.161 . . . . 0.0 109.155 169.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -36.15 79.83 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.838 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.49 -48.07 71.01 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.151 1.381 . . . . 0.0 111.959 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.89 -43.01 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.7 mtm105 -62.89 -41.66 99.5 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.51 -0.744 . . . . 0.0 110.024 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.07 -40.93 82.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.489 1.116 . . . . 0.0 113.207 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.7 91.04 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.454 1.024 . . . . 0.0 111.086 177.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mmm -64.66 -42.2 95.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.8 p -81.46 -34.0 31.68 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 t -84.92 8.23 18.29 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.09 18.96 78.2 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.489 1.042 . . . . 0.0 115.072 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.34 150.33 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.787 1.635 . . . . 0.0 111.699 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.8 m -57.62 101.55 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.723 1.209 . . . . 0.0 112.909 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -61.99 -28.87 69.87 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.969 1.307 . . . . 0.0 113.37 -177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.35 -34.93 79.08 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.118 1.367 . . . . 0.0 114.431 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -63.71 -31.86 73.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.144 0.429 . . . . 0.0 111.867 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -57.64 11.47 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.443 0.565 . . . . 0.0 110.868 177.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.49 -50.77 68.36 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.874 0.869 . . . . 0.0 113.103 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -62.27 -44.74 95.83 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 119.252 -0.404 . . . . 0.0 111.319 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -68.34 -32.53 72.7 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.21 0.914 . . . . 0.0 112.311 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -56.42 21.35 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.542 0.737 . . . . 0.0 111.645 172.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.89 -32.35 69.3 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.738 0.415 . . . . 0.0 112.014 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -56.74 -52.04 66.51 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.218 1.007 . . . . 0.0 112.599 167.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -65.76 -39.46 91.08 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.19 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -55.29 -49.94 70.83 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 120.052 1.296 . . . . 0.0 110.024 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -78.04 -0.99 30.11 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -46.03 4.22 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.863 1.665 . . . . 0.0 112.136 168.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.97 -48.46 13.33 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.32 2.248 . . . . 0.0 113.269 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -97.58 -36.42 10.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.141 0.976 . . . . 0.0 112.265 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.11 33.36 23.09 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.117 1.367 . . . . 0.0 112.383 -177.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -64.76 136.68 57.19 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.769 1.627 . . . . 0.0 112.86 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -78.76 -16.34 57.31 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.109 2.164 . . . . 0.0 111.978 179.729 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -66.16 151.74 46.3 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.577 1.151 . . . . 0.0 113.305 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.9 162.81 28.65 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.551 1.14 . . . . 0.0 112.971 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -148.3 155.26 41.09 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.717 1.607 . . . . 0.0 111.877 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.91 -12.04 59.76 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -153.69 143.52 21.91 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.842 1.257 . . . . 0.0 112.306 -176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -140.26 11.37 2.36 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.787 1.235 . . . . 0.0 114.225 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.79 -33.15 5.34 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 126.24 1.876 . . . . 0.0 113.267 -173.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.88 129.25 34.35 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.704 1.201 . . . . 0.0 111.774 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -73.8 125.82 28.99 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.213 0.53 . . . . 0.0 111.11 171.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -64.98 132.34 49.0 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.966 0.906 . . . . 0.0 110.864 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -58.81 -24.69 62.28 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.923 -1.111 . . . . 0.0 113.333 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.31 -28.12 68.98 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.619 1.968 . . . . 0.0 114.682 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -98.64 -32.58 11.34 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.404 1.002 . . . . 0.0 112.671 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -55.02 -46.9 75.28 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.25 1.42 . . . . 0.0 110.303 171.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -31.69 73.0 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 118.486 -0.769 . . . . 0.0 112.824 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.3 mt -70.63 -50.01 41.41 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.584 1.154 . . . . 0.0 111.789 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.42 -40.82 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.823 -0.548 . . . . 0.0 111.739 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -65.35 -37.76 88.02 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.178 -0.951 . . . . 0.0 112.418 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.93 -41.02 81.84 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.675 0.79 . . . . 0.0 111.948 168.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -44.53 75.63 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.927 1.24 . . . . 0.0 111.574 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 8.6 mmm -62.02 -40.81 96.97 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 76.1 p -84.18 -30.74 25.56 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -88.31 7.98 29.67 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.19 24.17 72.05 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.214 0.911 . . . . 0.0 114.91 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.0 t -74.61 153.79 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.512 1.525 . . . . 0.0 112.098 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 46.2 m -65.54 89.93 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.636 1.174 . . . . 0.0 112.866 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -23.24 66.8 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -62.58 -37.77 87.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.167 0.987 . . . . 0.0 113.317 168.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -64.53 -35.02 79.6 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 119.17 -0.443 . . . . 0.0 111.036 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -49.61 75.76 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.758 0.708 . . . . 0.0 111.493 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.07 -52.24 56.79 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -62.88 -42.32 99.73 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 117.603 0.183 . . . . 0.0 111.35 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -69.34 -32.66 71.88 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.333 1.053 . . . . 0.0 112.46 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -56.73 17.63 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.947 0.794 . . . . 0.0 110.452 171.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -67.81 -33.79 75.47 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.07 0.548 . . . . 0.0 112.027 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -56.93 -54.47 46.2 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.041 0.936 . . . . 0.0 112.733 167.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -65.15 -37.58 87.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.299 0.954 . . . . 0.0 112.194 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -56.21 -49.97 72.58 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.921 1.237 . . . . 0.0 110.693 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -77.19 -2.1 32.81 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -47.47 4.48 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.844 1.657 . . . . 0.0 112.207 170.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.46 -56.49 4.58 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.531 1.933 . . . . 0.0 112.561 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.3 t -91.11 -34.48 15.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.036 0.934 . . . . 0.0 112.195 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.0 35.97 25.71 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.68 1.192 . . . . 0.0 111.881 176.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -71.83 -35.12 69.81 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 -163.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 54.27 36.99 26.48 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.009 1.324 . . . . 0.0 114.533 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.571 1.548 . . . . 0.0 113.676 176.095 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -74.27 -18.75 60.68 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -69.65 153.17 43.81 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.436 1.094 . . . . 0.0 113.091 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -68.27 147.74 51.77 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.92 1.288 . . . . 0.0 112.743 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -84.61 -7.43 59.25 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -148.89 142.23 25.16 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.77 1.628 . . . . 0.0 110.83 -173.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -146.41 59.54 1.22 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.205 1.002 . . . . 0.0 112.206 -173.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.56 18.41 73.73 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.314 0.959 . . . . 0.0 115.274 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -148.26 125.98 11.85 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.464 1.506 . . . . 0.0 110.936 -171.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -72.87 130.68 40.96 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.448 0.642 . . . . 0.0 111.457 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -69.0 132.33 46.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.031 0.932 . . . . 0.0 110.623 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 18.5 m -57.82 -24.85 59.31 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.934 -1.104 . . . . 0.0 113.534 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.96 -27.12 69.18 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.196 1.798 . . . . 0.0 114.745 173.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -98.46 -32.41 11.5 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.02 0.928 . . . . 0.0 112.738 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -54.21 -47.44 72.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.726 1.21 . . . . 0.0 110.072 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -33.14 75.19 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.187 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 67.4 mt -69.54 -47.42 63.76 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.108 1.363 . . . . 0.0 111.934 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -67.02 -40.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.79 -0.569 . . . . 0.0 112.033 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -60.55 -43.89 96.73 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.305 -0.872 . . . . 0.0 111.288 171.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.81 -38.66 75.94 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.062 0.945 . . . . 0.0 112.931 172.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.8 80.95 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.111 -0.993 . . . . 0.0 111.137 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 2.4 mmm -62.05 -35.82 79.77 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 82.4 p -89.07 -32.7 17.43 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.725 1.379 . . . . 0.0 114.725 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -85.59 8.36 19.72 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.9 19.69 79.81 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.498 1.047 . . . . 0.0 114.684 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 32.3 t -67.12 147.11 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 126.041 1.736 . . . . 0.0 111.588 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 58.9 m -58.92 111.76 1.41 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.996 0.918 . . . . 0.0 112.123 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -65.93 -31.67 72.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.347 0.659 . . . . 0.0 112.546 -174.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -65.77 -37.33 86.05 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.821 0.848 . . . . 0.0 113.18 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -62.77 -29.24 70.54 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -55.94 27.87 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.163 0.892 . . . . 0.0 110.904 173.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -65.14 -49.8 68.48 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.535 0.734 . . . . 0.0 112.818 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -65.69 -37.15 85.66 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -73.43 -32.32 64.33 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.567 1.076 . . . . 0.0 112.229 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -54.67 40.58 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.625 -0.672 . . . . 0.0 110.173 167.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -60.36 -38.19 83.05 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.572 -0.727 . . . . 0.0 111.78 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -59.87 -49.77 76.4 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.1 1.36 . . . . 0.0 113.36 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -70.53 -40.66 73.32 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.167 -0.958 . . . . 0.0 111.786 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -53.78 -39.24 65.26 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.288 1.035 . . . . 0.0 111.249 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -53.76 -25.44 18.88 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 128.603 2.761 . . . . 0.0 114.494 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -126.54 -36.45 2.26 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.045 1.338 . . . . 0.0 113.007 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -39.65 81.28 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.755 0.822 . . . . 0.0 112.492 170.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -127.81 -22.85 3.48 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -172.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.46 29.16 17.09 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.16 1.784 . . . . 0.0 114.515 170.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.42 46.71 0.35 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.907 1.683 . . . . 0.0 113.979 176.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -67.72 -24.44 65.37 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.63 1.972 . . . . 0.0 113.476 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.69 1.996 . . . . 0.0 112.77 177.513 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -71.76 159.46 34.3 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.622 1.169 . . . . 0.0 112.92 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.23 136.44 56.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.934 0.894 . . . . 0.0 111.67 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 29.7 tpp -134.44 -4.62 2.62 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -169.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -79.09 171.85 14.62 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.149 -0.969 . . . . 0.0 112.31 175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -67.69 150.61 48.5 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 122.022 0.915 . . . . 0.0 112.693 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -140.15 17.29 2.44 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.358 1.863 . . . . 0.0 112.614 -174.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.37 -21.79 5.39 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 126.171 1.843 . . . . 0.0 112.953 -168.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -57.28 147.15 26.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.151 1.38 . . . . 0.0 112.081 166.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -147.04 134.02 20.28 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.481 1.112 . . . . 0.0 110.279 160.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -61.08 139.27 58.12 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.42 0.629 . . . . 0.0 112.357 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -56.33 -28.65 59.66 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.041 -1.037 . . . . 0.0 113.602 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.03 -25.5 67.09 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.008 1.723 . . . . 0.0 115.051 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -102.47 -32.06 10.15 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.1 0.96 . . . . 0.0 112.184 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.26 -47.88 71.79 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.415 1.486 . . . . 0.0 110.347 170.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -36.16 79.84 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 118.874 -0.584 . . . . 0.0 112.1 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.34 -48.03 65.93 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.963 1.305 . . . . 0.0 112.227 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.52 -41.69 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.751 -0.593 . . . . 0.0 112.323 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -64.85 -39.96 94.38 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.519 -0.738 . . . . 0.0 110.554 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.04 -40.32 80.61 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.52 1.128 . . . . 0.0 113.01 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.35 89.46 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.995 0.816 . . . . 0.0 110.976 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mmm -62.23 -40.78 97.28 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p -80.38 -32.07 37.68 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 4.0 t -83.42 7.3 17.24 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.74 18.09 75.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.59 1.09 . . . . 0.0 114.434 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.93 145.49 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.542 1.537 . . . . 0.0 111.203 -177.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 43.6 m -56.82 106.55 0.31 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.671 1.189 . . . . 0.0 112.42 -174.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -64.51 -27.94 69.32 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -66.64 -37.42 84.79 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.841 0.856 . . . . 0.0 113.141 172.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.86 -29.01 70.25 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.894 -0.574 . . . . 0.0 112.383 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -55.89 27.27 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.235 0.925 . . . . 0.0 110.897 172.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.81 -49.4 68.4 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.621 0.769 . . . . 0.0 112.927 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -67.26 -35.93 80.53 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -74.74 -31.41 61.8 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.603 1.092 . . . . 0.0 112.126 174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -52.51 61.63 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.51 -0.744 . . . . 0.0 110.049 166.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.77 -40.24 91.79 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.307 -0.854 . . . . 0.0 112.002 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -59.71 -45.27 92.64 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.078 1.351 . . . . 0.0 113.746 176.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -71.17 -45.16 64.06 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.301 -0.874 . . . . 0.0 111.276 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -53.29 -36.3 61.06 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.295 173.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -53.99 -25.12 19.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 129.73 3.212 . . . . 0.0 114.787 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -126.36 -38.94 2.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.642 1.577 . . . . 0.0 112.696 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -35.45 81.06 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.131 0.972 . . . . 0.0 112.092 175.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -129.64 -24.05 2.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.95 19.59 11.82 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.936 1.694 . . . . 0.0 113.963 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -74.91 -29.48 60.98 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.506 1.523 . . . . 0.0 114.617 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 61.18 5.17 1.01 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 127.173 2.189 . . . . 0.0 116.096 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 . . . . . 0 N--CA 1.481 1.1 0 C-N-CA 127.521 2.328 . . . . 0.0 111.639 175.244 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.62 HD21 HG22 ' B' ' 18' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.638 0.732 . . . . 0.0 111.185 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 10.2 t0 -66.7 138.98 57.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.107 1.363 . . . . 0.0 111.519 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 t -57.08 -29.29 63.34 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.013 -1.054 . . . . 0.0 112.482 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.43 -29.43 69.94 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.425 1.49 . . . . 0.0 114.952 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.519 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.1 m95 -99.68 -31.82 11.37 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.168 0.895 . . . . 0.0 112.114 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -53.48 -47.63 69.62 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.193 1.397 . . . . 0.0 109.628 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -33.01 74.75 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 118.52 -0.752 . . . . 0.0 112.657 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 14' ' ' TRP . 66.8 mt -67.77 -46.21 72.68 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.586 1.154 . . . . 0.0 111.802 175.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.465 HG22 HD21 ' B' ' 10' ' ' LEU . 14.4 p -69.59 -42.74 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.486 ' HG2' HD23 ' B' ' 10' ' ' LEU . 35.0 mtm105 -58.82 -42.67 89.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.56 1.144 . . . . 0.0 111.583 171.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.37 -42.75 87.68 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.453 1.101 . . . . 0.0 112.842 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.42 99.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.752 0.706 . . . . 0.0 110.986 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -63.0 -42.36 99.83 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.4 p -77.73 -29.66 51.26 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -73.2 -24.77 60.56 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.485 0.714 . . . . 0.0 112.358 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.96 25.12 56.61 Favored Glycine 0 CA--C 1.536 1.374 0 O-C-N 121.38 -0.825 . . . . 0.0 112.666 -170.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.2 t -62.52 147.08 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.537 1.535 . . . . 0.0 110.516 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.8 m -60.44 99.26 0.08 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.6 1.16 . . . . 0.0 112.488 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -63.37 -24.76 67.99 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.4 1.08 . . . . 0.0 113.479 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -64.88 -36.83 85.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.839 1.256 . . . . 0.0 114.17 168.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -64.66 -32.13 73.66 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.982 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.29 -55.58 26.9 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.574 0.625 . . . . 0.0 110.534 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.87 -49.83 71.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.019 0.928 . . . . 0.0 113.162 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -62.05 -44.53 96.48 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 117.691 0.223 . . . . 0.0 111.555 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -68.24 -33.06 73.7 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.55 0.74 . . . . 0.0 112.33 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -57.77 10.72 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.038 0.935 . . . . 0.0 111.024 171.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -67.62 -34.4 76.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.7 0.4 . . . . 0.0 111.779 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -56.47 -53.2 60.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.083 0.953 . . . . 0.0 112.717 169.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -67.34 -37.38 83.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.22 0.918 . . . . 0.0 112.67 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -55.93 -48.54 75.53 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.318 1.417 . . . . 0.0 110.643 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -78.41 -0.42 29.14 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.5 -45.54 4.82 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.232 1.413 . . . . 0.0 112.533 168.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -82.47 -47.13 12.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.66 2.384 . . . . 0.0 113.44 -176.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.1 t -99.91 -41.93 7.0 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.118 0.967 . . . . 0.0 112.323 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.94 0 C-N-CA 125.017 1.327 . . . . 0.0 112.965 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.3 tm? . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 120.439 0.161 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.404 ' O ' HD13 ' B' ' 10' ' ' LEU . 9.6 t0 -66.7 140.35 57.88 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.493 0.664 . . . . 0.0 112.141 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 90.3 p -59.79 -26.3 65.63 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 120.706 -1.246 . . . . 0.0 114.162 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -68.78 -29.92 68.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.364 1.866 . . . . 0.0 114.023 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.635 ' HB2' HD11 ' B' ' 10' ' ' LEU . 1.8 m95 -97.49 -30.58 12.81 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.183 0.901 . . . . 0.0 111.778 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -53.65 -50.16 66.36 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.687 1.595 . . . . 0.0 109.89 172.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -31.67 72.99 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' B' ' 14' ' ' TRP . 70.9 mt -69.77 -47.81 61.6 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.23 . . . . 0.0 112.019 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.62 HG22 HD21 ' A' ' 10' ' ' LEU . 11.6 p -65.61 -41.87 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.673 -0.642 . . . . 0.0 112.14 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -63.53 -41.84 98.45 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.684 -0.635 . . . . 0.0 110.083 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.57 -42.81 83.84 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.659 1.184 . . . . 0.0 112.289 171.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.47 96.02 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.262 0.937 . . . . 0.0 111.23 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -62.75 -42.49 99.7 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 77.1 p -86.93 -28.77 22.56 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -88.34 8.39 27.8 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.75 22.48 72.08 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.567 1.08 . . . . 0.0 114.958 173.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 43.0 t -73.06 148.47 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.97 1.308 . . . . 0.0 111.706 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m -58.92 104.13 0.21 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.866 1.266 . . . . 0.0 112.998 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -58.95 -33.26 70.41 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.023 1.329 . . . . 0.0 113.127 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.41 -34.75 77.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.244 1.418 . . . . 0.0 114.151 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -65.9 -31.17 71.96 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.907 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.37 -54.62 41.39 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.23 0.612 . . . . 0.0 110.947 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -64.95 -49.8 68.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.766 0.826 . . . . 0.0 112.917 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -66.11 -37.61 86.15 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -70.03 -33.92 72.6 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.013 0.824 . . . . 0.0 111.692 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -54.15 49.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.4 0.68 . . . . 0.0 110.445 169.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -61.41 -41.98 98.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.347 0.659 . . . . 0.0 111.865 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -56.51 19.27 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.609 0.764 . . . . 0.0 111.71 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -65.41 -37.45 87.0 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.448 1.022 . . . . 0.0 112.42 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -55.17 -49.7 71.18 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.052 1.296 . . . . 0.0 110.326 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -80.44 -4.04 52.18 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -46.75 5.19 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.081 1.31 . . . . 0.0 112.59 166.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -77.19 -48.33 17.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.739 2.016 . . . . 0.0 113.106 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -98.64 -30.52 12.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.964 0.906 . . . . 0.0 112.267 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 125.64 1.576 . . . . 0.0 111.849 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' LEU . . . . . 0.748 HD21 HG22 ' D' ' 18' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 121.969 0.89 . . . . 0.0 109.997 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -85.0 20.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -153.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.6 t 64.2 -35.77 0.17 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 130.039 3.336 . . . . 0.0 115.119 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.64 -26.02 67.62 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.503 1.921 . . . . 0.0 112.506 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.8 m95 -97.15 -32.02 12.16 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.371 1.068 . . . . 0.0 112.326 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.88 -47.47 80.39 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.156 1.783 . . . . 0.0 110.182 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -33.06 74.66 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.09 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' C' ' 14' ' ' TRP . 52.6 mt -70.5 -49.81 44.48 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.946 1.298 . . . . 0.0 112.384 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.48 -42.45 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.527 -0.733 . . . . 0.0 111.839 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -62.41 -42.68 99.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.516 1.126 . . . . 0.0 112.546 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -58.23 -41.04 83.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.062 1.345 . . . . 0.0 113.357 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.22 81.78 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.577 -0.702 . . . . 0.0 111.171 174.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 6.2 mmm -58.39 -40.53 82.61 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 73.6 p -78.98 -31.7 44.99 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.7 t -81.72 5.45 18.42 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.34 20.65 79.57 Favored Glycine 0 CA--C 1.536 1.38 0 O-C-N 121.358 -0.839 . . . . 0.0 114.379 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' VAL . . . . . 0.498 HG13 ' CB ' ' D' ' 38' ' ' GLN . 25.2 t -65.01 144.93 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.983 1.313 . . . . 0.0 110.741 175.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 70.5 m -59.12 111.19 1.24 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.016 0.927 . . . . 0.0 112.186 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -61.55 -29.21 69.86 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -174.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -69.8 -34.36 73.61 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.84 0.856 . . . . 0.0 112.889 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -63.38 -30.6 71.7 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 117.775 -1.107 . . . . 0.0 111.782 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -59.19 -45.21 91.67 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.859 1.209 . . . . 0.0 111.859 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -64.53 -47.14 79.95 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.795 0.725 . . . . 0.0 112.472 171.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -65.09 -39.43 93.17 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.38 -40.34 93.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.481 1.513 . . . . 0.0 111.52 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -53.82 51.72 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 117.944 0.338 . . . . 0.0 110.739 171.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -62.06 -42.01 98.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.438 0.695 . . . . 0.0 112.248 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.46 -46.58 83.48 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.058 1.743 . . . . 0.0 112.918 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -74.52 -40.33 61.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.366 0.985 . . . . 0.0 112.578 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -54.32 -34.24 60.59 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.429 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -17.41 7.66 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 128.793 2.837 . . . . 0.0 115.283 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -132.14 -37.57 1.12 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.169 1.388 . . . . 0.0 113.156 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -70.41 -25.04 63.05 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.78 1.232 . . . . 0.0 113.213 175.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 43.6 t -132.77 -20.73 2.23 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.897 1.279 . . . . 0.0 113.468 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.294 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.73 0 C-N-CA 126.663 1.985 . . . . 0.0 114.055 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 10' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' D' ' 14' ' ' TRP . 3.1 tm? . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 120.997 0.427 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' ASP . . . . . 0.456 ' O ' HD13 ' D' ' 10' ' ' LEU . 7.0 t0 -67.39 132.02 46.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.725 0.81 . . . . 0.0 112.007 178.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -57.89 -25.98 61.52 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.607 -1.308 . . . . 0.0 113.717 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.16 -23.27 67.26 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.112 1.765 . . . . 0.0 115.241 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' TRP . . . . . 0.642 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.1 m95 -104.79 -31.65 9.22 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.383 1.073 . . . . 0.0 112.504 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.47 -44.73 72.83 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.007 1.323 . . . . 0.0 110.691 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -36.62 82.65 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.858 -0.591 . . . . 0.0 112.403 177.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.54 -48.42 69.75 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.763 1.225 . . . . 0.0 111.856 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.748 HG22 HD21 ' C' ' 10' ' ' LEU . 7.5 p -65.33 -41.47 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.591 ' HG2' HD23 ' C' ' 10' ' ' LEU . 69.7 mtm180 -62.78 -41.49 99.27 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.499 -0.75 . . . . 0.0 110.839 176.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.09 -39.06 77.62 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.399 1.08 . . . . 0.0 112.976 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.51 80.71 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.289 -0.882 . . . . 0.0 111.518 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.8 mmm -60.88 -38.9 87.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.42 0.288 . . . . 0.0 111.746 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 76.9 p -82.51 -33.39 28.3 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -84.62 8.26 17.44 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.44 21.22 78.67 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.301 0.953 . . . . 0.0 114.438 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.59 145.36 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.238 1.415 . . . . 0.0 111.082 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 49.8 m -58.14 109.1 0.69 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.28 1.032 . . . . 0.0 112.366 -174.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -63.73 -27.31 69.11 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -174.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -70.49 -37.0 74.14 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -64.43 -25.66 68.11 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-O 118.751 -0.643 . . . . 0.0 112.632 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' PHE . . . . . 0.451 ' HB3' HD13 ' C' ' 17' ' ' LEU . 0.5 OUTLIER -52.26 -56.68 13.17 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.058 0.845 . . . . 0.0 110.455 170.457 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -64.62 -47.9 76.89 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.229 1.011 . . . . 0.0 112.821 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -64.73 -37.43 87.56 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -71.06 -36.09 72.15 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.136 -0.978 . . . . 0.0 112.052 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.16 -51.62 63.73 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.847 -0.533 . . . . 0.0 110.487 170.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.3 -38.1 89.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.181 0.992 . . . . 0.0 112.172 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -58.06 -48.42 80.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.725 1.21 . . . . 0.0 112.803 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLN . . . . . 0.498 ' CB ' HG13 ' C' ' 26' ' ' VAL . 89.0 mm-40 -70.8 -41.14 72.01 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.367 -0.833 . . . . 0.0 112.284 175.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -54.77 -38.44 67.23 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.432 1.014 . . . . 0.0 111.115 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -54.48 -26.04 28.99 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 128.092 2.557 . . . . 0.0 114.55 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -121.01 -40.36 2.62 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.544 1.138 . . . . 0.0 113.433 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -72.85 -23.44 60.75 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.176 1.39 . . . . 0.0 113.008 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -130.4 -27.74 2.16 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.538 1.135 . . . . 0.0 113.299 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.837 0 C-N-CA 126.279 1.832 . . . . 0.0 113.98 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.654 HD21 HG22 ' B' ' 18' ' ' VAL . 1.7 tm? . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.082 0.468 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -64.9 140.27 58.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.574 0.702 . . . . 0.0 111.749 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -59.44 -28.28 66.82 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 120.95 -1.094 . . . . 0.0 113.641 -173.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -64.44 -27.35 68.93 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.553 1.941 . . . . 0.0 114.184 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.539 ' HB2' HD11 ' A' ' 10' ' ' LEU . 1.9 m95 -101.3 -31.8 10.8 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.123 0.874 . . . . 0.0 112.776 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -53.79 -47.05 71.17 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.683 1.193 . . . . 0.0 109.71 170.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -33.33 75.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.644 -179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 14' ' ' TRP . 63.9 mt -69.04 -47.82 64.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.678 1.191 . . . . 0.0 112.223 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.27 -41.78 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.76 -0.587 . . . . 0.0 111.913 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -64.73 -38.72 91.95 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.35 -0.844 . . . . 0.0 111.865 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.68 -39.89 86.03 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.839 1.256 . . . . 0.0 113.343 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.72 90.56 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 119.139 0.881 . . . . 0.0 110.604 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mmm -62.54 -41.93 99.21 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -79.1 -31.82 44.41 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -81.73 4.16 22.96 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.71 23.6 73.98 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 120.767 -1.208 . . . . 0.0 114.024 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.423 HG13 ' CB ' ' B' ' 38' ' ' GLN . 17.7 t -66.76 148.11 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.523 1.529 . . . . 0.0 110.665 177.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.8 m -61.52 102.13 0.22 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.707 0.803 . . . . 0.0 112.666 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -61.55 -28.72 69.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.866 1.266 . . . . 0.0 113.66 -176.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -64.99 -34.86 79.44 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.117 1.367 . . . . 0.0 114.063 171.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.57 -30.64 70.99 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.25 -54.21 43.15 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.77 0.428 . . . . 0.0 110.713 172.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -63.45 -49.37 73.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.926 0.89 . . . . 0.0 112.865 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.44 -40.3 95.47 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -69.88 -34.43 73.55 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.749 0.704 . . . . 0.0 112.128 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -55.91 27.96 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.584 0.753 . . . . 0.0 110.841 171.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -66.67 -37.64 85.2 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -53.44 -56.94 12.68 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.298 0.639 . . . . 0.0 111.758 169.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.72 -38.97 90.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.385 0.993 . . . . 0.0 112.162 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -56.36 -51.01 69.87 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.452 1.478 . . . . 0.0 110.838 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -76.74 -12.74 60.03 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -88.52 -48.0 7.91 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.968 1.307 . . . . 0.0 112.337 167.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -43.17 9.81 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.014 2.126 . . . . 0.0 113.312 -163.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -101.02 -26.01 13.86 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.567 1.147 . . . . 0.0 111.638 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.82 0 C-N-CA 126.197 1.799 . . . . 0.0 111.144 169.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.0 tm? . . . . . 0 N--CA 1.467 0.398 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -62.76 132.79 53.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.935 0.494 . . . . 0.0 111.763 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -58.5 -25.31 62.23 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.945 -1.097 . . . . 0.0 113.369 -173.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -61.28 -29.52 69.91 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.097 1.759 . . . . 0.0 114.778 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.657 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.5 m95 -99.21 -31.85 11.52 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.38 0.991 . . . . 0.0 112.147 178.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -53.8 -50.51 65.94 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.286 1.034 . . . . 0.0 109.492 170.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -31.97 72.65 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' B' ' 14' ' ' TRP . 60.6 mt -68.64 -48.03 65.08 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.078 1.351 . . . . 0.0 111.886 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.654 HG22 HD21 ' A' ' 10' ' ' LEU . 13.4 p -65.83 -42.88 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 177.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.55 ' HG2' HD23 ' A' ' 10' ' ' LEU . 8.3 mtm105 -61.6 -42.26 98.62 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.852 0.861 . . . . 0.0 110.304 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.26 -40.96 83.18 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.702 1.201 . . . . 0.0 113.378 171.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.57 94.86 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 119.015 0.825 . . . . 0.0 111.134 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.5 mmm -64.84 -42.6 94.78 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -78.09 -32.81 50.81 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 5.4 t -82.24 3.42 27.51 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.06 22.24 74.07 Favored Glycine 0 CA--C 1.537 1.432 0 O-C-N 120.868 -1.145 . . . . 0.0 114.387 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 37.1 t -64.03 147.01 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.33 1.452 . . . . 0.0 110.68 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m -55.7 107.93 0.39 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.421 1.088 . . . . 0.0 112.592 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -63.85 -34.13 77.24 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.865 0.866 . . . . 0.0 112.026 -173.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -63.27 -39.65 95.19 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.161 1.384 . . . . 0.0 113.908 174.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.58 -29.73 70.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.227 0.611 . . . . 0.0 112.383 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.93 -54.08 49.0 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.42 0.554 . . . . 0.0 110.982 173.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.88 -48.14 72.5 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.872 0.869 . . . . 0.0 112.673 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.14 -42.58 99.39 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -69.98 -33.05 71.57 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.564 -0.71 . . . . 0.0 112.215 176.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -52.66 64.17 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.479 0.581 . . . . 0.0 110.766 170.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -62.91 -40.89 98.96 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.249 0.477 . . . . 0.0 111.678 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -54.97 -54.59 40.83 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.562 -0.711 . . . . 0.0 112.186 173.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.423 ' CB ' HG13 ' A' ' 26' ' ' VAL . 88.3 mm-40 -66.39 -39.14 88.87 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 119.1 0.864 . . . . 0.0 112.401 177.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -56.29 -51.04 69.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.652 1.569 . . . . 0.0 110.744 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -81.18 -9.45 59.79 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -89.82 -48.4 7.27 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.267 1.394 . . . . 0.0 112.812 165.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -80.15 -51.62 8.76 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.122 2.169 . . . . 0.0 113.236 -173.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -93.09 -34.04 13.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.885 0.874 . . . . 0.0 112.14 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 C-N-CA 125.072 1.349 . . . . 0.0 112.29 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' LEU . . . . . 0.668 HD21 HG22 ' D' ' 18' ' ' VAL . 1.5 tm? . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 121.497 0.665 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' ASP . . . . . 0.423 ' HB3' ' CD1' ' C' ' 14' ' ' TRP . 10.1 t0 -65.41 140.78 58.66 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.011 0.925 . . . . 0.0 111.836 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.0 p -58.76 -28.4 65.88 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.798 -1.189 . . . . 0.0 113.474 -176.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.16 -26.81 68.69 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.659 1.983 . . . . 0.0 114.532 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' TRP . . . . . 0.519 ' HB2' HD11 ' C' ' 10' ' ' LEU . 2.1 m95 -101.84 -31.9 10.51 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.958 0.799 . . . . 0.0 112.662 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -54.24 -47.49 72.16 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 125.637 1.575 . . . . 0.0 110.7 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -35.18 80.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.407 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' C' ' 14' ' ' TRP . 80.1 mt -67.04 -47.95 69.81 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.607 1.163 . . . . 0.0 112.016 176.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -66.27 -40.0 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.845 -0.534 . . . . 0.0 111.943 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -62.98 -39.65 95.34 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.318 -0.864 . . . . 0.0 112.392 170.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -38.23 75.74 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.26 1.024 . . . . 0.0 112.495 172.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.37 -43.74 66.32 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.139 -0.976 . . . . 0.0 111.589 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 2.0 mmm -60.97 -34.94 75.54 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 46.5 p -87.58 -34.81 18.41 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -85.46 8.53 18.72 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.18 17.28 80.25 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.547 1.07 . . . . 0.0 114.986 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' D' ' 38' ' ' GLN . 24.3 t -64.55 145.34 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.479 1.512 . . . . 0.0 111.347 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 52.8 m -56.9 115.65 2.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.989 0.916 . . . . 0.0 111.835 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -65.86 -29.89 70.41 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -172.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -68.62 -35.01 76.73 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.097 0.959 . . . . 0.0 112.985 172.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -60.69 -26.24 66.98 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.481 0.712 . . . . 0.0 112.635 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' PHE . . . . . 0.428 ' HB3' HD13 ' D' ' 17' ' ' LEU . 1.5 m-85 -53.44 -63.24 1.21 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.651 0.659 . . . . 0.0 111.532 166.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -62.37 -45.26 93.96 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.832 0.853 . . . . 0.0 112.858 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -64.12 -40.0 95.24 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -71.92 -37.07 70.12 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.355 0.979 . . . . 0.0 112.038 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -52.36 63.24 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.781 0.832 . . . . 0.0 110.301 173.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -64.65 -41.6 96.01 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.551 0.74 . . . . 0.0 111.878 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -54.28 -45.82 72.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.245 1.018 . . . . 0.0 112.281 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLN . . . . . 0.4 ' CB ' HG13 ' D' ' 26' ' ' VAL . 92.3 mm-40 -72.66 -44.14 62.24 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.343 -0.848 . . . . 0.0 112.537 173.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -55.44 -35.41 65.41 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.944 1.247 . . . . 0.0 112.302 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -54.18 -28.6 41.65 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 128.658 2.783 . . . . 0.0 113.451 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -116.21 -41.89 3.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.336 1.854 . . . . 0.0 113.965 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -71.44 -26.25 62.65 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.157 1.383 . . . . 0.0 112.994 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 46.6 t -121.63 -35.2 3.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.035 1.334 . . . . 0.0 112.595 172.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.769 0 C-N-CA 125.327 1.451 . . . . 0.0 113.843 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' ASP . . . . . 0.411 ' O ' HD13 ' D' ' 10' ' ' LEU . 7.9 t0 -63.21 132.2 50.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.154 0.582 . . . . 0.0 111.815 177.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -57.8 -26.45 61.98 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.873 -1.142 . . . . 0.0 113.314 -174.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -61.25 -30.03 70.2 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.263 1.825 . . . . 0.0 114.798 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' TRP . . . . . 0.624 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.9 m95 -96.93 -32.15 12.19 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.438 1.017 . . . . 0.0 112.249 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.05 -50.51 66.54 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.272 1.029 . . . . 0.0 109.52 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -32.53 73.32 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.759 -0.588 . . . . 0.0 112.477 -176.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' D' ' 14' ' ' TRP . 45.7 mt -68.54 -47.34 67.15 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.881 1.272 . . . . 0.0 112.521 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.668 HG22 HD21 ' C' ' 10' ' ' LEU . 11.5 p -64.43 -42.6 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.408 -0.807 . . . . 0.0 112.223 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.599 ' HG2' HD23 ' C' ' 10' ' ' LEU . 8.9 mtm105 -61.85 -43.97 97.78 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.935 0.894 . . . . 0.0 110.68 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -58.28 -41.64 84.78 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.127 1.371 . . . . 0.0 113.523 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.5 92.26 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.551 -0.718 . . . . 0.0 111.448 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 2.3 mmm -60.19 -39.37 86.29 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 73.5 p -80.84 -32.66 35.04 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -81.25 5.88 15.79 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.74 23.45 77.88 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 123.993 0.806 . . . . 0.0 114.17 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' VAL . . . . . 0.4 HG13 ' CB ' ' C' ' 38' ' ' GLN . 38.9 t -66.34 148.63 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.335 1.454 . . . . 0.0 111.113 177.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 55.1 m -56.58 112.01 1.16 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.063 0.945 . . . . 0.0 111.98 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.5 -28.19 68.37 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.357 0.663 . . . . 0.0 112.52 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -70.44 -38.04 74.45 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.165 0.986 . . . . 0.0 112.73 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -62.62 -29.3 70.51 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.456 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -57.82 -48.82 78.65 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.517 1.053 . . . . 0.0 111.632 172.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ARG . . . . . 0.407 ' HA ' HD22 ' C' ' 17' ' ' LEU . 12.5 tpt180 -63.79 -48.26 77.62 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.435 0.694 . . . . 0.0 112.358 172.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.82 -42.96 97.53 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -33.37 68.86 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.116 0.966 . . . . 0.0 111.858 176.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.69 -52.36 56.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.313 0.96 . . . . 0.0 110.488 168.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -69.66 -35.86 75.55 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.588 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -38.1 89.34 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.31 1.414 . . . . 0.0 113.272 174.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLN . . . . . 0.468 ' CB ' HG13 ' C' ' 26' ' ' VAL . 88.8 mm-40 -72.71 -41.18 65.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 119.404 1.002 . . . . 0.0 112.5 170.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -55.46 -41.61 73.17 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.893 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -55.39 -19.09 8.05 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 129.208 3.003 . . . . 0.0 114.58 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -118.36 -44.57 2.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.257 1.823 . . . . 0.0 113.48 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -78.46 -25.09 45.75 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.429 1.492 . . . . 0.0 113.211 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 28.1 t -133.28 -20.52 2.11 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.931 1.292 . . . . 0.0 113.237 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.301 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.767 0 C-N-CA 127.088 2.155 . . . . 0.0 113.843 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.707 HD21 HG22 ' B' ' 18' ' ' VAL . 1.1 tm? . . . . . 0 C--O 1.234 0.248 0 CA-C-O 121.382 0.611 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.83 133.44 50.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.781 0.832 . . . . 0.0 110.552 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -59.45 -23.93 63.12 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.967 -1.083 . . . . 0.0 113.399 -172.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.6 -26.01 67.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.716 2.006 . . . . 0.0 114.561 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.529 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.4 m95 -102.2 -32.05 10.27 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.022 0.929 . . . . 0.0 112.895 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -54.05 -46.62 71.99 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.902 1.281 . . . . 0.0 109.978 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -34.08 77.55 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.515 -0.755 . . . . 0.0 112.627 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 14' ' ' TRP . 73.4 mt -67.35 -49.31 64.54 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.198 0.999 . . . . 0.0 111.827 176.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -67.69 -39.0 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.727 -0.608 . . . . 0.0 112.35 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -67.92 -33.99 75.76 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.11 0.964 . . . . 0.0 112.58 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.29 -39.78 94.12 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.531 1.132 . . . . 0.0 112.794 166.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HB2' HD21 ' B' ' 35' ' ' LEU . . . -68.06 -41.89 81.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.411 1.005 . . . . 0.0 111.228 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 mmt -56.54 -52.48 64.61 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.941 0.897 . . . . 0.0 111.42 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.7 p -73.21 -31.55 64.23 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -81.5 -3.85 54.27 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.56 27.06 73.56 Favored Glycine 0 CA--C 1.539 1.589 0 O-C-N 120.665 -1.272 . . . . 0.0 113.779 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.422 HG13 ' CB ' ' B' ' 38' ' ' GLN . 7.1 t -64.29 149.73 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.995 1.718 . . . . 0.0 110.977 176.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 m -60.95 98.47 0.07 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.434 1.094 . . . . 0.0 112.577 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -61.18 -29.98 70.13 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.775 1.23 . . . . 0.0 113.03 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -64.29 -37.73 88.53 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.919 1.288 . . . . 0.0 114.022 171.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -63.68 -34.09 77.08 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.042 0.383 . . . . 0.0 111.142 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -54.37 46.65 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.63 0.772 . . . . 0.0 111.575 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -64.51 -48.34 75.49 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -61.81 -47.28 85.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 119.156 -0.45 . . . . 0.0 111.623 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -27.19 62.32 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.433 1.015 . . . . 0.0 113.56 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -57.3 9.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.649 1.113 . . . . 0.0 109.702 168.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -73.94 -33.99 64.14 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.922 0.889 . . . . 0.0 111.983 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -45.88 92.97 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.152 -0.967 . . . . 0.0 112.958 169.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -66.59 -37.62 85.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.224 1.375 . . . . 0.0 112.158 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -55.82 -46.49 78.08 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.711 1.141 . . . . 0.0 110.393 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -80.65 4.37 18.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.495 1.918 . . . . 0.0 115.552 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -46.16 4.03 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.084 1.754 . . . . 0.0 111.981 164.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -78.27 -53.97 6.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.295 2.238 . . . . 0.0 113.286 -176.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.4 t -93.14 -30.85 15.04 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.508 1.123 . . . . 0.0 112.099 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.945 0 C-N-CA 125.164 1.386 . . . . 0.0 112.595 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' B' ' 14' ' ' TRP . 2.8 tm? . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 120.502 0.191 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.23 137.22 58.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.911 0.884 . . . . 0.0 112.043 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.6 p -57.82 -28.42 64.05 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.152 -0.968 . . . . 0.0 113.379 -176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.64 -22.96 66.7 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.093 1.757 . . . . 0.0 115.296 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.615 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.6 m95 -106.68 -32.04 8.18 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.396 1.079 . . . . 0.0 112.471 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -53.63 -46.06 70.36 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.536 1.535 . . . . 0.0 110.182 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -38.82 89.22 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.991 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' B' ' 14' ' ' TRP . 62.9 mt -65.72 -47.85 73.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.606 1.162 . . . . 0.0 112.101 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.707 HG22 HD21 ' A' ' 10' ' ' LEU . 10.1 p -65.96 -43.39 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 120.341 -0.544 . . . . 0.0 112.32 178.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.655 ' HG2' HD23 ' A' ' 10' ' ' LEU . 76.3 mtm180 -63.64 -41.37 98.25 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.425 -0.797 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -59.19 -44.54 92.2 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.413 1.485 . . . . 0.0 113.012 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.85 98.84 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.749 -0.594 . . . . 0.0 111.443 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mmm -63.59 -47.0 83.25 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -73.3 -31.32 63.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -89.07 6.85 37.9 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.75 26.6 64.64 Favored Glycine 0 CA--C 1.537 1.46 0 N-CA-C 115.397 0.919 . . . . 0.0 115.397 171.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.9 t -69.52 150.46 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.963 1.305 . . . . 0.0 112.153 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.8 m -57.81 104.36 0.18 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.713 1.205 . . . . 0.0 112.921 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -62.75 -36.41 82.96 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.055 0.942 . . . . 0.0 112.078 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -63.14 -37.41 87.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.225 1.41 . . . . 0.0 113.812 174.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -69.02 -31.62 70.56 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -51.71 61.24 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.934 0.893 . . . . 0.0 110.512 171.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.16 -52.47 58.89 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.474 1.11 . . . . 0.0 113.531 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.54 -38.15 90.03 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.24 0.473 . . . . 0.0 112.179 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -70.71 -33.51 70.94 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.642 0.655 . . . . 0.0 112.083 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -57.14 -54.05 51.2 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.776 0.716 . . . . 0.0 111.366 170.185 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -67.54 -35.05 78.33 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -55.46 -54.14 47.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.072 0.949 . . . . 0.0 112.114 170.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.422 ' CB ' HG13 ' A' ' 26' ' ' VAL . 97.9 mm-40 -66.83 -37.52 84.66 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 118.391 -0.814 . . . . 0.0 112.192 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -55.96 -53.87 51.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.25 1.386 . . . . 0.0 110.787 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -76.7 -1.0 25.66 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -48.01 3.88 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.042 1.337 . . . . 0.0 112.592 167.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -77.86 -51.65 10.13 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.114 2.166 . . . . 0.0 113.276 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.7 t -87.03 -33.51 19.53 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.776 0.83 . . . . 0.0 111.177 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 C-N-CA 124.96 1.304 . . . . 0.0 111.964 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' C' ' 14' ' ' TRP . 2.0 tm? . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 120.56 0.219 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.68 136.67 58.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.999 0.919 . . . . 0.0 111.56 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -57.02 -30.85 64.55 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.9 -19.74 65.78 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.513 1.925 . . . . 0.0 115.361 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' TRP . . . . . 0.577 ' HB2' HD11 ' C' ' 10' ' ' LEU . 1.8 m95 -104.31 -32.28 9.15 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.916 0.886 . . . . 0.0 113.089 174.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -53.97 -46.82 71.76 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.692 1.197 . . . . 0.0 110.228 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -36.5 80.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.281 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' C' ' 14' ' ' TRP . 86.1 mt -69.35 -48.16 62.19 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.647 1.179 . . . . 0.0 112.137 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.32 -40.72 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.823 -0.548 . . . . 0.0 111.972 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -63.58 -40.41 96.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.861 0.864 . . . . 0.0 111.696 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.17 -38.78 80.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.785 1.234 . . . . 0.0 113.56 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.8 82.57 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.438 1.017 . . . . 0.0 110.517 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 4.9 mmm -61.6 -41.67 97.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 119.364 -0.35 . . . . 0.0 111.925 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 81.2 p -79.81 -31.16 40.69 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -80.16 2.18 25.21 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 20.87 74.75 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 120.819 -1.176 . . . . 0.0 113.872 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' VAL . . . . . 0.501 HG13 ' CB ' ' D' ' 38' ' ' GLN . 32.2 t -63.61 142.02 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.256 1.423 . . . . 0.0 109.967 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -58.02 112.33 1.47 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.833 0.853 . . . . 0.0 112.203 -171.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -65.11 -27.21 68.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -172.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.27 -38.17 84.66 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -60.48 -29.09 68.84 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.999 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -53.88 51.82 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 119.473 1.033 . . . . 0.0 111.686 175.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -65.28 -46.62 79.72 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.261 0.624 . . . . 0.0 112.535 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -66.64 -38.69 87.43 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -32.42 65.48 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.733 -1.229 . . . . 0.0 112.255 171.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.8 -50.59 65.78 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.244 0.929 . . . . 0.0 109.924 166.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -58.68 -46.82 86.41 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.821 175.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -36.6 84.41 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.133 1.333 . . . . 0.0 114.515 -178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLN . . . . . 0.432 ' CB ' HG13 ' D' ' 26' ' ' VAL . 95.8 mm-40 -72.89 -44.04 61.76 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.522 1.055 . . . . 0.0 112.053 170.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -54.45 -39.42 67.41 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.614 0.766 . . . . 0.0 110.868 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.1 -23.36 13.65 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 129.412 3.085 . . . . 0.0 114.588 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -125.6 -37.24 2.35 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.715 1.606 . . . . 0.0 113.53 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -72.72 -25.5 61.24 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.824 1.25 . . . . 0.0 113.344 175.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -138.57 -18.53 1.09 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.25 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.788 0 C-N-CA 125.7 1.6 . . . . 0.0 114.224 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 10' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 120.504 0.192 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 8.3 t0 -64.27 135.57 56.35 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.81 -0.556 . . . . 0.0 112.137 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -56.55 -30.21 62.85 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.033 -1.042 . . . . 0.0 112.69 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -61.27 -30.65 70.6 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' TRP . . . . . 0.654 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.0 m95 -98.81 -31.67 11.75 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.707 1.14 . . . . 0.0 112.136 178.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -52.93 -47.68 67.85 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.665 1.586 . . . . 0.0 109.756 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -67.55 -29.97 69.49 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.343 -0.836 . . . . 0.0 113.182 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' D' ' 14' ' ' TRP . 60.0 mt -71.01 -48.13 54.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.02 1.328 . . . . 0.0 112.363 175.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.518 HG22 HD21 ' C' ' 10' ' ' LEU . 10.4 p -66.27 -37.82 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 O-C-N 121.471 -0.768 . . . . 0.0 112.205 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -67.13 -37.44 83.85 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.283 -0.886 . . . . 0.0 111.824 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -39.23 77.11 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.561 1.144 . . . . 0.0 112.612 167.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -43.0 81.3 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.198 -0.939 . . . . 0.0 111.684 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 15.9 mmt -60.35 -37.02 79.38 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -82.23 -36.37 27.27 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.53 7.99 26.99 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -173.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.7 20.54 78.11 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.549 1.071 . . . . 0.0 114.833 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' VAL . . . . . 0.432 HG13 ' CB ' ' C' ' 38' ' ' GLN . 24.3 t -67.12 147.04 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.444 1.497 . . . . 0.0 111.757 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 50.5 m -60.01 108.83 0.83 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.255 1.022 . . . . 0.0 111.915 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -65.23 -27.78 68.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -67.72 -40.76 84.21 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 170.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.66 -27.57 69.32 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -56.23 16.64 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.794 0.724 . . . . 0.0 111.278 169.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -64.72 -47.44 78.27 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.94 0.896 . . . . 0.0 112.646 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -64.02 -38.47 91.21 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -72.63 -34.16 67.14 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.192 0.905 . . . . 0.0 111.914 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -52.54 62.73 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.777 -0.577 . . . . 0.0 111.002 166.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -59.71 -41.33 90.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.732 -0.652 . . . . 0.0 111.512 175.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.24 -49.26 77.73 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.672 1.189 . . . . 0.0 113.072 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLN . . . . . 0.501 ' CB ' HG13 ' C' ' 26' ' ' VAL . 88.2 mm-40 -71.3 -42.04 69.17 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.629 -0.669 . . . . 0.0 112.076 175.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -52.65 -40.16 62.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.995 0.816 . . . . 0.0 110.952 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.06 -24.37 9.82 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 128.456 2.703 . . . . 0.0 114.592 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -127.07 -39.08 1.95 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.702 1.601 . . . . 0.0 113.207 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -72.53 -25.8 61.52 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.79 1.236 . . . . 0.0 113.139 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 95.3 p -133.56 -17.44 2.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.287 1.035 . . . . 0.0 113.723 172.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.275 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 126.555 1.942 . . . . 0.0 113.547 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.7 HD21 HG22 ' B' ' 18' ' ' VAL . 1.1 tm? . . . . . 0 N--CA 1.465 0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.9 t0 -65.69 135.94 55.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.447 1.099 . . . . 0.0 111.09 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.0 t -57.2 -29.56 63.81 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.065 -1.022 . . . . 0.0 112.235 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.96 -20.23 66.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.488 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.5 m95 -103.53 -32.26 9.55 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.017 0.927 . . . . 0.0 112.912 172.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -53.66 -45.94 70.41 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.997 1.319 . . . . 0.0 110.073 171.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -39.46 92.45 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.075 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 14' ' ' TRP . 73.2 mt -66.19 -47.02 75.3 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.506 1.122 . . . . 0.0 111.554 179.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.437 HG22 HD21 ' B' ' 10' ' ' LEU . 14.4 p -69.03 -43.5 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HG2' HD23 ' B' ' 10' ' ' LEU . 31.8 mtm105 -57.71 -44.0 85.63 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.09 -1.006 . . . . 0.0 111.819 172.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -43.13 94.1 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.118 0.967 . . . . 0.0 113.082 173.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.62 96.3 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.675 -0.64 . . . . 0.0 110.959 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.0 mmm -64.75 -51.77 60.54 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.8 p -72.21 -32.47 66.81 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -87.13 6.94 30.3 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.61 25.53 67.44 Favored Glycine 0 CA--C 1.538 1.479 0 N-CA-C 115.822 1.089 . . . . 0.0 115.822 168.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.429 HG13 ' CB ' ' B' ' 38' ' ' GLN . 16.2 t -67.83 149.75 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.475 1.51 . . . . 0.0 112.021 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.9 m -58.91 107.48 0.53 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.211 1.004 . . . . 0.0 112.607 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -62.72 -35.82 80.97 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.275 1.03 . . . . 0.0 112.344 -175.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -63.18 -37.19 86.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.91 1.284 . . . . 0.0 113.902 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -65.31 -33.41 75.91 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 118.107 0.412 . . . . 0.0 111.363 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -55.24 35.56 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.745 0.818 . . . . 0.0 111.067 174.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -62.4 -51.25 68.31 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.032 0.933 . . . . 0.0 112.898 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -61.16 -45.26 95.36 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.15 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.67 -34.36 77.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.424 1.011 . . . . 0.0 112.189 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' B' ' 21' ' ' ALA . 0.1 OUTLIER -55.69 -57.58 11.41 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.516 0.598 . . . . 0.0 111.887 172.16 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -71.73 -30.21 65.38 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -58.27 -50.28 74.15 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.733 1.213 . . . . 0.0 112.837 168.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -66.78 -39.83 87.95 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.218 0.917 . . . . 0.0 112.253 175.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -54.7 -47.52 73.6 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.943 1.247 . . . . 0.0 110.13 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -81.99 6.96 14.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.44 -45.24 3.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.726 1.21 . . . . 0.0 112.297 164.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -73.82 -33.52 64.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.662 1.985 . . . . 0.0 114.477 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.1 t -134.79 -32.75 0.97 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -168.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.933 0 C-N-CA 125.637 1.575 . . . . 0.0 114.498 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.1 tm? . . . . . 0 N--CA 1.469 0.484 0 CA-C-O 120.646 0.26 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.428 ' O ' HD13 ' B' ' 10' ' ' LEU . 7.2 t0 -67.15 134.02 50.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.251 0.621 . . . . 0.0 111.684 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 16.4 m -59.19 -24.94 63.53 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.699 -1.251 . . . . 0.0 113.966 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -64.01 -23.75 67.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.839 1.655 . . . . 0.0 114.95 174.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.588 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.2 m95 -103.7 -30.94 10.11 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.654 1.182 . . . . 0.0 112.391 177.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.15 -49.1 70.01 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.129 0.972 . . . . 0.0 109.264 169.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -34.49 74.59 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 119.012 -0.518 . . . . 0.0 111.886 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.11 -49.99 57.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.104 1.361 . . . . 0.0 111.994 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.7 HG22 HD21 ' A' ' 10' ' ' LEU . 11.0 p -65.96 -40.82 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.549 -0.719 . . . . 0.0 112.356 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.597 ' HG2' HD23 ' A' ' 10' ' ' LEU . 16.5 mtm105 -64.62 -39.76 94.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.608 0.763 . . . . 0.0 110.49 176.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.94 -42.28 84.53 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.012 0.925 . . . . 0.0 112.061 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.525 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -67.77 -41.93 82.53 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 120.037 1.29 . . . . 0.0 111.541 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mmm -63.9 -40.15 95.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 62.5 p -86.39 -31.99 21.17 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -87.23 2.32 50.41 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.44 25.47 47.14 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.702 1.144 . . . . 0.0 114.769 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 30.1 t -78.41 150.11 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.073 1.349 . . . . 0.0 112.226 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.3 m -61.36 97.87 0.07 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.206 1.402 . . . . 0.0 113.193 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -59.16 -30.94 68.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.708 1.203 . . . . 0.0 113.165 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -65.2 -33.82 76.92 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.282 1.433 . . . . 0.0 114.289 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -65.84 -33.27 75.47 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 119.19 -0.433 . . . . 0.0 111.4 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -53.16 60.34 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.691 0.796 . . . . 0.0 111.5 -178.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -63.59 -48.34 77.79 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -64.02 -44.46 92.52 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -30.79 67.42 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.528 -0.732 . . . . 0.0 112.799 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -56.99 12.7 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.066 0.848 . . . . 0.0 110.076 170.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -68.83 -35.68 77.25 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.721 0.808 . . . . 0.0 112.296 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.69 -51.0 71.34 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.481 -0.762 . . . . 0.0 112.553 170.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.429 ' CB ' HG13 ' A' ' 26' ' ' VAL . 70.2 mm-40 -65.1 -39.05 92.6 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.674 1.124 . . . . 0.0 112.357 175.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -55.9 -50.11 71.57 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.724 1.147 . . . . 0.0 110.924 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -78.04 -2.66 38.25 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -47.99 5.37 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.61 1.564 . . . . 0.0 112.158 165.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 mmpp? -78.97 -53.86 6.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.938 2.095 . . . . 0.0 113.209 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 39.5 t -91.59 -29.27 17.02 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.295 1.038 . . . . 0.0 111.81 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.881 0 C-N-CA 125.314 1.446 . . . . 0.0 111.661 173.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' LEU . . . . . 0.743 HD21 HG22 ' D' ' 18' ' ' VAL . 0.9 OUTLIER . . . . . 0 CA--C 1.534 0.363 0 CA-C-O 121.576 0.703 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.11 22.06 1.01 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 116.914 2.191 . . . . 0.0 116.914 -156.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m 63.16 -36.0 0.14 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 129.957 3.303 . . . . 0.0 115.657 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -63.82 -29.34 70.54 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.885 2.074 . . . . 0.0 112.313 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' TRP . . . . . 0.534 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.8 m95 -96.42 -30.51 13.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.956 0.903 . . . . 0.0 112.046 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -57.63 -48.92 78.11 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.639 1.575 . . . . 0.0 109.692 170.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -65.22 -29.6 70.42 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' D' ' 32' ' ' ARG . 62.2 mt -68.89 -50.73 47.06 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.747 1.219 . . . . 0.0 112.371 172.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.53 HG22 HD21 ' D' ' 10' ' ' LEU . 14.7 p -65.86 -35.61 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 O-C-N 121.528 -0.733 . . . . 0.0 112.498 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.446 ' HG2' HD23 ' D' ' 10' ' ' LEU . 36.8 mtm105 -63.91 -42.71 97.35 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.3 -0.875 . . . . 0.0 111.149 172.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -36.37 72.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.257 1.023 . . . . 0.0 113.094 170.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.45 ' HB2' HD21 ' D' ' 35' ' ' LEU . . . -69.93 -40.31 75.6 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.226 -0.921 . . . . 0.0 111.931 175.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 22' ' ' MET . . . . . 0.414 ' CE ' ' CD1' ' D' ' 14' ' ' TRP . 25.8 mmt -60.53 -40.73 92.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.197 0.453 . . . . 0.0 111.671 173.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 82.7 p -79.88 -35.1 38.56 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -87.14 8.25 24.57 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.436 1.016 . . . . 0.0 113.676 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.4 23.8 76.32 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.704 -1.248 . . . . 0.0 114.472 174.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' VAL . . . . . 0.435 HG13 ' CB ' ' D' ' 38' ' ' GLN . 6.5 t -66.94 145.19 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.06 1.344 . . . . 0.0 111.083 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -59.77 111.07 1.31 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.616 1.166 . . . . 0.0 111.606 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -67.19 -24.36 65.85 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -171.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -67.92 -33.74 75.27 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 171.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -63.49 -26.34 68.67 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 123.352 0.661 . . . . 0.0 112.529 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' PHE . . . . . 0.469 ' HB3' HD13 ' D' ' 17' ' ' LEU . 2.1 m-85 -53.43 -59.0 5.14 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 118.518 0.599 . . . . 0.0 111.006 168.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -63.12 -47.88 80.91 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.606 0.763 . . . . 0.0 112.582 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -64.9 -37.03 86.27 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.24 -36.8 69.19 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.598 1.09 . . . . 0.0 112.169 173.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -50.19 67.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.402 0.681 . . . . 0.0 109.706 171.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.25 -44.09 96.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 112.428 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -53.45 -47.23 69.89 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.779 1.231 . . . . 0.0 112.52 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -74.4 -43.44 56.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.932 0.787 . . . . 0.0 112.99 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -53.76 -35.66 61.51 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.232 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -53.72 -23.63 12.27 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 128.664 2.786 . . . . 0.0 114.664 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -127.09 -37.66 2.06 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.693 1.597 . . . . 0.0 112.66 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -70.52 -24.79 62.89 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.469 1.108 . . . . 0.0 113.226 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 26.1 t -144.66 -17.13 0.53 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.928 0 C-N-CA 127.076 2.15 . . . . 0.0 115.156 170.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 10' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' ASP . . . . . 0.497 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 6.2 t0 -64.37 136.38 57.07 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.387 0.613 . . . . 0.0 111.853 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 99.4 p -58.45 -29.07 65.87 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.689 -1.257 . . . . 0.0 113.469 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.32 -27.06 66.85 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.195 1.798 . . . . 0.0 114.297 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' TRP . . . . . 0.593 ' HB2' HD11 ' D' ' 10' ' ' LEU . 1.9 m95 -100.41 -31.28 11.38 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.096 0.862 . . . . 0.0 112.871 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -53.86 -48.09 70.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.265 1.026 . . . . 0.0 109.584 170.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -35.17 79.38 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.977 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' D' ' 14' ' ' TRP . 54.0 mt -68.06 -45.48 73.77 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.212 1.405 . . . . 0.0 112.411 177.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.743 HG22 HD21 ' C' ' 10' ' ' LEU . 10.0 p -65.6 -43.62 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.561 -0.712 . . . . 0.0 112.118 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.641 ' HG2' HD23 ' C' ' 10' ' ' LEU . 23.3 mtm105 -62.88 -41.25 99.33 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.728 -0.607 . . . . 0.0 110.615 178.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.78 -41.89 87.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.395 1.478 . . . . 0.0 113.492 173.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.93 92.19 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 121.482 -0.761 . . . . 0.0 111.486 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mmm -60.75 -40.08 91.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 76.3 p -78.41 -31.3 48.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t -81.69 5.83 17.14 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.91 22.28 78.8 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 123.903 0.763 . . . . 0.0 114.168 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 36.1 t -67.27 146.57 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.892 1.277 . . . . 0.0 111.061 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -57.92 109.84 0.81 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.274 1.03 . . . . 0.0 112.139 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.29 -31.33 71.91 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.921 0.888 . . . . 0.0 113.222 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -67.25 -36.6 81.95 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.91 0.884 . . . . 0.0 112.7 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -64.02 -29.12 70.29 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 118.572 -0.728 . . . . 0.0 112.432 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.41 -47.18 84.76 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.672 1.124 . . . . 0.0 111.707 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ARG . . . . . 0.478 ' HA ' HD22 ' C' ' 17' ' ' LEU . 9.1 tpt180 -62.72 -49.95 73.06 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.739 0.7 . . . . 0.0 112.199 172.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.47 -37.17 84.52 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.96 -30.41 62.51 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.183 1.356 . . . . 0.0 111.868 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' C' ' 21' ' ' ALA . 0.1 OUTLIER -56.34 -50.72 70.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.104 0.866 . . . . 0.0 110.243 166.46 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -61.05 -40.38 93.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.311 0.644 . . . . 0.0 112.055 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -59.63 -47.52 85.25 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.997 1.319 . . . . 0.0 112.758 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' GLN . . . . . 0.435 ' CB ' HG13 ' C' ' 26' ' ' VAL . 66.1 mm-40 -70.2 -43.0 71.6 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.869 -0.519 . . . . 0.0 111.729 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -53.62 -41.68 66.95 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.54 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -53.5 -23.18 9.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.203 2.601 . . . . 0.0 114.812 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -118.6 -43.0 2.71 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.055 1.742 . . . . 0.0 112.861 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -36.13 71.47 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -177.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 89.3 p -125.65 -10.68 6.76 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.111 1.364 . . . . 0.0 114.504 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.287 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 128.642 2.777 . . . . 0.0 113.923 175.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.683 HD21 HG22 ' B' ' 18' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 121.488 0.661 . . . . 0.0 111.73 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 11.8 t0 -67.48 136.88 55.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.77 1.228 . . . . 0.0 111.365 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.8 t -57.19 -28.9 63.25 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.049 -1.032 . . . . 0.0 112.513 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -60.99 -28.45 69.04 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 173.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.7 m95 -100.95 -31.8 10.95 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.46 1.027 . . . . 0.0 112.469 177.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -53.91 -47.28 71.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.015 1.326 . . . . 0.0 110.043 171.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -36.59 84.15 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.53 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 14' ' ' TRP . 55.5 mt -66.06 -48.04 72.34 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.472 1.109 . . . . 0.0 111.901 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.78 HG22 HD21 ' B' ' 10' ' ' LEU . 11.6 p -66.68 -41.69 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 119.946 -0.702 . . . . 0.0 112.445 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.711 ' HG2' HD23 ' B' ' 10' ' ' LEU . 79.0 mtm180 -66.22 -37.55 85.82 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.54 -0.725 . . . . 0.0 111.27 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.71 -43.9 93.95 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.19 0.996 . . . . 0.0 112.69 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.84 97.72 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.783 -0.573 . . . . 0.0 111.422 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.3 mmt -58.26 -51.37 70.07 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.034 0.534 . . . . 0.0 112.18 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.0 p -77.63 -30.96 52.48 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -174.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -83.23 4.27 27.58 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.98 21.94 78.93 Favored Glycine 0 CA--C 1.535 1.315 0 O-C-N 121.048 -1.032 . . . . 0.0 114.729 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -63.46 150.56 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.248 1.419 . . . . 0.0 111.132 174.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -65.04 89.97 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.195 0.998 . . . . 0.0 112.274 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -21.65 65.37 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.864 1.266 . . . . 0.0 114.239 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -60.03 -36.21 76.78 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 165.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -65.5 -35.1 79.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 118.694 -0.669 . . . . 0.0 111.712 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -55.89 -47.62 77.07 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.855 0.752 . . . . 0.0 110.522 173.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -63.2 -53.39 53.9 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.881 0.764 . . . . 0.0 113.031 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -63.21 -40.72 98.27 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 117.816 0.28 . . . . 0.0 111.665 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -68.49 -33.18 73.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.006 0.922 . . . . 0.0 112.169 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -54.51 46.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.392 0.677 . . . . 0.0 111.201 173.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -68.4 -36.71 79.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.7 0.4 . . . . 0.0 111.874 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -54.56 -52.26 62.66 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.657 0.783 . . . . 0.0 112.448 169.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -66.15 -40.68 90.74 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.271 0.941 . . . . 0.0 112.289 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -56.38 -51.59 67.74 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.553 1.524 . . . . 0.0 110.638 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -77.0 -10.77 59.59 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -85.79 -45.31 11.73 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.588 1.155 . . . . 0.0 112.39 165.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -47.53 5.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.35 1.86 . . . . 0.0 113.62 -162.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 t -84.14 -32.68 24.54 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.094 0.958 . . . . 0.0 111.042 167.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 125.896 1.678 . . . . 0.0 112.039 173.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.78 HD21 HG22 ' A' ' 18' ' ' VAL . 1.5 tm? . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -67.03 133.64 50.31 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.312 0.645 . . . . 0.0 110.33 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.9 m -59.48 -22.19 61.21 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 -167.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.77 -25.66 66.68 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.543 1.937 . . . . 0.0 114.522 172.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.516 ' HB2' HD11 ' B' ' 10' ' ' LEU . 3.0 m95 -102.28 -32.16 10.19 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.174 0.99 . . . . 0.0 112.627 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -54.17 -49.25 69.75 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.323 1.049 . . . . 0.0 109.394 169.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -34.27 76.5 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.776 -0.63 . . . . 0.0 112.176 -177.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 14' ' ' TRP . 69.5 mt -67.15 -48.54 67.71 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.774 1.23 . . . . 0.0 112.157 176.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.683 HG22 HD21 ' A' ' 10' ' ' LEU . 15.0 p -66.52 -41.14 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 120.016 -0.673 . . . . 0.0 112.193 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.57 ' HG2' HD23 ' A' ' 10' ' ' LEU . 17.3 mtm105 -66.07 -38.16 87.62 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.394 -0.817 . . . . 0.0 110.68 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.39 -41.62 89.8 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.538 1.135 . . . . 0.0 112.606 170.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.76 -43.29 84.48 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.196 0.907 . . . . 0.0 111.323 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mmm -62.6 -42.91 99.85 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -78.0 -28.2 49.2 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -75.06 -28.33 60.33 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.942 0.792 . . . . 0.0 112.411 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.32 25.78 46.38 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 113.034 -170.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.4 t -60.04 150.0 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.549 1.94 . . . . 0.0 111.036 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 67.5 m -58.41 102.75 0.12 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.07 0.948 . . . . 0.0 112.634 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -61.48 -33.99 74.7 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.523 1.129 . . . . 0.0 112.277 -174.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -60.88 -35.14 75.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.413 1.485 . . . . 0.0 114.292 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.97 -32.88 74.41 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.13 0.572 . . . . 0.0 111.901 -176.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.04 -58.75 6.14 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.529 0.604 . . . . 0.0 110.87 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -64.33 -47.95 77.43 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.166 0.986 . . . . 0.0 113.119 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -63.97 -43.36 96.02 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 119.513 -0.28 . . . . 0.0 111.568 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -66.78 -36.0 81.39 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.83 0.741 . . . . 0.0 112.208 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -54.75 42.17 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.144 0.977 . . . . 0.0 110.815 174.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -67.8 -36.01 79.67 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.395 0.678 . . . . 0.0 111.956 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.69 -50.15 72.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.789 0.836 . . . . 0.0 112.595 169.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -67.42 -37.83 83.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.421 1.009 . . . . 0.0 112.632 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -55.99 -48.87 75.05 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.233 1.379 . . . . 0.0 110.254 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -77.69 -5.0 49.0 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -93.92 -48.92 6.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.197 1.399 . . . . 0.0 112.409 167.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -57.98 3.48 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.988 2.115 . . . . 0.0 112.778 -177.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -87.68 -29.96 20.74 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.725 1.21 . . . . 0.0 111.893 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.817 0 C-N-CA 125.415 1.486 . . . . 0.0 112.381 172.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' C' ' 14' ' ' TRP . 3.1 tm? . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' ASP . . . . . 0.419 ' O ' HD13 ' C' ' 10' ' ' LEU . 8.3 t0 -66.88 130.61 43.73 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.239 0.543 . . . . 0.0 111.588 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 18.1 m -58.06 -25.79 61.69 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.714 -1.241 . . . . 0.0 113.838 -171.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -63.52 -27.53 69.32 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.553 1.941 . . . . 0.0 114.512 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' TRP . . . . . 0.606 ' HB2' HD11 ' C' ' 10' ' ' LEU . 2.5 m95 -97.68 -32.36 11.8 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.026 0.83 . . . . 0.0 112.668 177.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -54.27 -46.38 72.68 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.264 1.425 . . . . 0.0 110.184 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -33.87 77.01 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.832 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' C' ' 14' ' ' TRP . 47.7 mt -68.23 -48.11 66.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.367 1.067 . . . . 0.0 112.246 176.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.68 -41.7 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.577 -0.702 . . . . 0.0 112.052 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -63.29 -40.42 97.31 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.181 0.992 . . . . 0.0 112.61 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -60.84 -40.24 92.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.156 1.382 . . . . 0.0 113.537 170.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.97 90.26 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.419 -0.801 . . . . 0.0 111.034 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mmm -60.57 -45.48 93.76 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 73.8 p -73.13 -31.14 64.1 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 5.2 t -83.3 4.63 26.3 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.93 20.71 80.02 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.195 -0.94 . . . . 0.0 114.894 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' VAL . . . . . 0.5 HG13 ' CB ' ' D' ' 38' ' ' GLN . 23.5 t -59.44 144.99 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.596 1.558 . . . . 0.0 111.015 176.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 65.3 m -56.82 110.95 0.89 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.177 0.991 . . . . 0.0 112.171 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -65.59 -28.0 68.82 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -67.89 -40.61 83.46 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.767 0.712 . . . . 0.0 112.368 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -61.96 -29.15 70.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 118.409 0.55 . . . . 0.0 112.381 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -53.75 51.06 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.109 0.868 . . . . 0.0 110.959 171.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -64.23 -49.2 72.89 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.43 1.092 . . . . 0.0 113.0 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.76 -38.97 93.1 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -74.7 -33.66 62.46 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.563 1.145 . . . . 0.0 112.041 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -54.27 33.49 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.641 -0.662 . . . . 0.0 110.299 165.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.42 -32.21 73.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.257 0.623 . . . . 0.0 112.529 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -58.74 -54.64 44.77 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.607 1.163 . . . . 0.0 112.199 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' GLN . . . . . 0.44 ' CB ' HG13 ' D' ' 26' ' ' VAL . 95.0 mm-40 -67.23 -40.85 86.4 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.581 0.628 . . . . 0.0 111.585 177.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -53.69 -41.17 66.64 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.649 0.78 . . . . 0.0 111.17 173.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -53.91 -23.08 11.59 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.641 1.977 . . . . 0.0 114.489 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -116.95 -40.83 3.09 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.542 1.537 . . . . 0.0 113.484 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -74.36 -25.37 59.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.824 1.25 . . . . 0.0 113.79 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 93.8 p -135.07 -20.09 1.71 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.252 1.421 . . . . 0.0 114.036 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.842 0 C-N-CA 126.894 2.078 . . . . 0.0 113.942 170.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 10' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.7 tm? . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -63.43 132.09 50.3 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.949 0.499 . . . . 0.0 111.561 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -58.33 -26.35 62.98 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.923 -1.11 . . . . 0.0 113.376 -172.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -61.53 -26.4 67.91 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.752 2.021 . . . . 0.0 114.948 173.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' TRP . . . . . 0.605 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.2 m95 -100.2 -32.1 11.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.826 0.85 . . . . 0.0 112.646 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -55.43 -44.64 76.48 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.518 1.527 . . . . 0.0 111.113 170.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -32.6 74.13 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 177.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' D' ' 14' ' ' TRP . 71.3 mt -68.46 -45.03 73.55 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.343 1.057 . . . . 0.0 112.09 174.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.514 HG22 HD21 ' C' ' 10' ' ' LEU . 11.7 p -67.4 -42.11 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 121.785 -0.572 . . . . 0.0 112.328 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -58.19 -41.72 84.54 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.035 -1.041 . . . . 0.0 112.354 169.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.95 -38.41 78.97 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.92 0.888 . . . . 0.0 112.469 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.12 -44.68 71.92 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.196 0.907 . . . . 0.0 111.076 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.6 mmm -61.52 -40.5 94.85 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.768 0.427 . . . . 0.0 111.857 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 60.8 p -83.46 -32.31 26.09 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -83.77 8.37 14.89 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.17 19.27 78.49 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.193 -0.942 . . . . 0.0 114.484 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' VAL . . . . . 0.44 HG13 ' CB ' ' C' ' 38' ' ' GLN . 41.6 t -64.9 144.29 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.323 1.449 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 60.9 m -58.82 114.75 2.69 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.92 0.888 . . . . 0.0 111.868 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -66.65 -28.58 68.58 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.319 0.648 . . . . 0.0 112.706 -171.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -65.87 -39.43 90.7 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.453 0.701 . . . . 0.0 112.708 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -60.05 -29.29 68.43 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.306 0.642 . . . . 0.0 112.315 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.24 -56.35 19.18 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.132 0.878 . . . . 0.0 111.515 175.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.45 -45.24 84.53 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.575 0.75 . . . . 0.0 112.69 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.12 -41.7 97.13 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.426 ' HA ' ' HB3' ' D' ' 37' ' ' TYR . 0.0 OUTLIER -73.62 -33.86 64.76 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.301 1.04 . . . . 0.0 112.972 174.511 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -52.53 52.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.842 0.746 . . . . 0.0 109.192 169.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -65.85 -41.07 92.16 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.682 0.793 . . . . 0.0 112.593 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' D' ' 34' ' ' PHE . 3.3 t80 -52.98 -46.83 68.44 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.212 1.405 . . . . 0.0 111.947 175.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 38' ' ' GLN . . . . . 0.5 ' CB ' HG13 ' C' ' 26' ' ' VAL . 82.7 mm-40 -71.84 -43.34 65.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.669 -0.681 . . . . 0.0 112.511 174.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -55.82 -40.23 72.49 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.452 1.024 . . . . 0.0 112.503 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -54.37 -26.27 29.19 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 129.209 3.004 . . . . 0.0 113.591 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -117.08 -38.91 3.29 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.659 1.584 . . . . 0.0 113.607 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -44.69 72.17 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.415 1.086 . . . . 0.0 112.463 176.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 33.3 p -116.47 -22.79 8.57 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 125.148 1.379 . . . . 0.0 113.319 175.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.807 HD21 HG22 ' B' ' 18' ' ' VAL . 1.2 tm? . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 121.575 0.703 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 12.9 t0 -66.79 138.24 57.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.351 1.46 . . . . 0.0 111.713 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 t -58.33 -26.68 63.37 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.585 -1.322 . . . . 0.0 112.66 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.39 -27.68 69.47 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.703 1.601 . . . . 0.0 114.901 173.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.452 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.4 m95 -99.99 -31.98 11.19 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.133 0.879 . . . . 0.0 112.42 176.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -53.94 -47.48 71.22 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.111 1.364 . . . . 0.0 109.98 171.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -33.01 74.92 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.821 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 14' ' ' TRP . 75.7 mt -69.72 -47.9 61.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.604 1.162 . . . . 0.0 111.921 177.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.451 HG22 HD21 ' B' ' 10' ' ' LEU . 11.6 p -67.7 -41.49 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.647 -0.658 . . . . 0.0 111.989 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -65.04 -36.85 85.69 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.832 -1.167 . . . . 0.0 112.759 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.45 -42.24 86.95 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.204 1.002 . . . . 0.0 112.14 167.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.25 -44.78 87.07 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 119.145 0.884 . . . . 0.0 111.049 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.3 mmm -62.63 -48.88 77.44 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.1 p -70.61 -27.69 64.27 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.9 t -74.33 -28.43 61.15 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.276 0.944 . . . . 0.0 112.275 175.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.99 23.33 55.72 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.567 -0.708 . . . . 0.0 113.009 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.417 HG13 ' CB ' ' B' ' 38' ' ' GLN . 16.0 t -58.9 147.11 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.847 1.659 . . . . 0.0 110.367 170.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.5 m -61.28 101.12 0.15 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.767 0.827 . . . . 0.0 112.755 -174.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -62.59 -25.81 68.27 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.549 1.14 . . . . 0.0 113.572 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -65.87 -37.37 85.98 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -63.36 -33.83 76.39 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 119.023 -0.513 . . . . 0.0 111.175 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -56.44 16.82 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.807 0.843 . . . . 0.0 111.164 174.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -64.29 -51.12 65.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.89 0.876 . . . . 0.0 113.173 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -65.89 -38.52 88.97 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -68.96 -33.58 73.93 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.116 0.871 . . . . 0.0 111.946 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' B' ' 21' ' ' ALA . 0.2 OUTLIER -56.77 -54.55 45.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.185 0.594 . . . . 0.0 111.13 171.247 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.12 -36.49 82.02 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -54.86 -54.64 39.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.855 0.862 . . . . 0.0 112.161 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' CB ' HG13 ' B' ' 26' ' ' VAL . 83.7 mm-40 -67.35 -36.8 82.13 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 118.333 -0.842 . . . . 0.0 112.67 177.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -55.83 -52.41 64.14 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.605 1.548 . . . . 0.0 110.811 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -73.82 -13.16 60.89 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -91.56 -49.73 6.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.226 1.41 . . . . 0.0 112.78 169.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -82.45 -51.82 7.47 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.641 2.376 . . . . 0.0 113.155 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -89.0 -33.0 17.34 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.503 0.721 . . . . 0.0 111.447 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.802 0 C-N-CA 125.198 1.399 . . . . 0.0 112.398 174.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.567 HD11 ' HB2' ' B' ' 14' ' ' TRP . 2.6 tm? . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 120.735 0.302 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 9.0 t0 -67.52 137.01 55.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.667 0.787 . . . . 0.0 112.192 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 37.8 t -56.78 -28.67 61.67 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.87 -1.144 . . . . 0.0 112.753 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.38 -25.6 68.09 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.567 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.2 m95 -103.17 -31.25 10.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.26 1.024 . . . . 0.0 112.435 176.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -53.31 -46.34 69.35 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.052 1.341 . . . . 0.0 109.802 170.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -35.13 79.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.234 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 14' ' ' TRP . 74.9 mt -68.08 -48.22 66.13 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.03 1.332 . . . . 0.0 111.795 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.807 HG22 HD21 ' A' ' 10' ' ' LEU . 9.3 p -66.19 -41.34 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.892 -0.505 . . . . 0.0 112.002 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.575 ' HG2' HD23 ' A' ' 10' ' ' LEU . 36.0 mtm105 -65.23 -40.06 93.58 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.293 -0.879 . . . . 0.0 110.888 177.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.72 -41.13 81.15 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.295 1.038 . . . . 0.0 112.475 170.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.48 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -65.3 -43.48 90.95 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 119.243 0.928 . . . . 0.0 111.074 177.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 2.1 mmm -61.74 -46.12 90.97 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -80.22 -27.13 38.83 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.6 t -81.5 1.78 31.87 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 25.36 73.63 Favored Glycine 0 CA--C 1.537 1.443 0 O-C-N 120.69 -1.256 . . . . 0.0 113.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.428 HG13 ' CB ' ' A' ' 38' ' ' GLN . 25.4 t -67.3 148.25 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 110.817 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.5 m -57.55 99.77 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.901 1.28 . . . . 0.0 113.085 -175.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -60.32 -31.87 70.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.12 0.968 . . . . 0.0 112.861 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -64.02 -35.98 82.48 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.185 1.394 . . . . 0.0 113.753 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -64.04 -34.92 79.12 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.135 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -52.38 66.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.954 0.797 . . . . 0.0 111.493 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -64.13 -50.89 66.47 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -64.16 -44.74 91.18 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 119.196 -0.43 . . . . 0.0 111.842 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -26.83 63.81 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.479 1.036 . . . . 0.0 113.023 176.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -56.19 24.43 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.504 1.047 . . . . 0.0 110.875 168.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -67.9 -34.8 77.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.768 0.427 . . . . 0.0 112.056 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -56.25 -54.44 45.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.997 0.919 . . . . 0.0 112.677 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.417 ' CB ' HG13 ' A' ' 26' ' ' VAL . 55.0 mm-40 -66.93 -35.86 80.95 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 118.181 -0.914 . . . . 0.0 112.254 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.04 -51.22 68.59 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 120.934 1.697 . . . . 0.0 110.488 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -75.03 -3.98 35.7 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -46.43 5.0 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.73 1.612 . . . . 0.0 112.466 170.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -55.58 4.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 127.081 2.152 . . . . 0.0 112.625 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.4 t -85.89 -37.05 19.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.729 0.812 . . . . 0.0 111.585 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 124.797 1.239 . . . . 0.0 112.065 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' LEU . . . . . 0.759 HD21 HG22 ' D' ' 18' ' ' VAL . 1.0 OUTLIER . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 120.941 0.4 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -77.46 21.17 0.27 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.187 2.292 . . . . 0.0 117.187 -164.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m 63.54 -32.84 0.12 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 130.18 3.392 . . . . 0.0 115.81 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -63.98 -47.97 78.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 126.037 1.735 . . . . 0.0 110.983 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' TRP . . . . . 0.586 ' HB2' HD11 ' C' ' 10' ' ' LEU . 4.9 m95 -74.05 -27.43 60.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.658 0.783 . . . . 0.0 111.672 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.17 -51.79 58.96 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.189 1.795 . . . . 0.0 110.808 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -65.2 -28.25 69.25 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.567 176.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.44 -48.71 63.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.478 1.111 . . . . 0.0 113.645 172.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.418 HG22 HD21 ' D' ' 10' ' ' LEU . 9.6 p -64.76 -39.72 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 120.674 -1.266 . . . . 0.0 111.837 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -64.48 -37.95 89.31 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.756 1.222 . . . . 0.0 112.232 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.98 -41.66 83.45 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.42 1.088 . . . . 0.0 112.301 167.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.61 78.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.76 1.164 . . . . 0.0 111.558 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -60.52 -37.68 81.92 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 57.3 p -85.99 -31.2 22.18 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.86 8.49 19.96 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.664 1.12 . . . . 0.0 114.014 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.91 19.83 78.42 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.639 1.114 . . . . 0.0 114.569 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' VAL . . . . . 0.491 HG13 ' CB ' ' D' ' 38' ' ' GLN . 39.1 t -70.21 146.06 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.761 1.625 . . . . 0.0 111.392 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 62.8 m -59.71 110.01 1.05 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.16 0.984 . . . . 0.0 112.555 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -65.98 -27.54 68.22 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.72 -36.44 82.47 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -62.99 -29.02 70.5 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -54.76 43.13 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.056 0.844 . . . . 0.0 111.216 173.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -65.16 -50.09 67.3 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.233 0.613 . . . . 0.0 112.632 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -65.94 -36.95 84.76 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -74.54 -31.77 62.22 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.398 0.999 . . . . 0.0 112.343 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.45 -53.91 50.37 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.832 0.742 . . . . 0.0 109.93 166.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -60.51 -37.0 79.72 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.503 0.721 . . . . 0.0 112.151 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -62.21 -48.56 79.46 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.701 1.2 . . . . 0.0 113.56 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' GLN . . . . . 0.468 ' CB ' HG13 ' D' ' 26' ' ' VAL . 93.7 mm-40 -68.83 -40.9 79.19 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.053 -1.029 . . . . 0.0 111.228 175.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -54.57 -38.51 66.75 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.801 0.841 . . . . 0.0 111.138 172.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -54.29 -26.27 28.37 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 128.441 2.696 . . . . 0.0 114.484 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -121.66 -40.2 2.57 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.799 1.24 . . . . 0.0 113.257 -177.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -73.13 -22.99 60.42 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.837 1.255 . . . . 0.0 113.149 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -132.68 -26.06 1.83 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.653 1.181 . . . . 0.0 113.423 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 126.641 1.976 . . . . 0.0 114.092 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.7 tm? . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 9.0 t0 -62.15 136.54 57.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.463 0.705 . . . . 0.0 111.928 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -56.2 -30.24 62.01 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.019 -1.051 . . . . 0.0 112.339 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -60.43 -28.27 68.14 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' TRP . . . . . 0.572 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.4 m95 -102.04 -31.09 10.81 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.42 1.009 . . . . 0.0 112.315 177.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -53.77 -48.69 69.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.511 1.124 . . . . 0.0 109.851 170.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -35.83 81.57 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.067 -177.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' D' ' 14' ' ' TRP . 74.6 mt -65.91 -45.64 81.19 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.124 1.369 . . . . 0.0 111.879 176.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.759 HG22 HD21 ' C' ' 10' ' ' LEU . 14.9 p -67.01 -43.06 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 178.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.643 ' HG2' HD23 ' C' ' 10' ' ' LEU . 17.7 mtm105 -63.07 -38.27 90.53 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.719 -0.613 . . . . 0.0 110.492 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.97 -40.18 88.21 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.452 1.101 . . . . 0.0 113.192 170.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.85 84.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.381 0.991 . . . . 0.0 111.196 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 17.3 mmt -57.34 -44.65 84.46 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 173.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 82.8 p -82.97 -31.82 27.39 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.2 t -84.12 7.17 19.69 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.26 21.66 79.2 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.219 0.914 . . . . 0.0 114.405 175.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' C' ' 38' ' ' GLN . 26.2 t -67.29 145.9 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.95 1.7 . . . . 0.0 111.088 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -60.1 108.91 0.85 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.928 0.891 . . . . 0.0 111.889 -174.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -65.36 -26.76 68.16 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -173.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.13 -37.58 86.07 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 118.794 0.725 . . . . 0.0 112.496 172.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -62.38 -28.94 70.12 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.209 0.604 . . . . 0.0 112.361 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.24 -56.57 18.46 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.51 0.595 . . . . 0.0 110.548 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.19 -48.29 68.36 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.077 0.951 . . . . 0.0 113.05 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.41 -40.61 97.08 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -74.58 -32.72 62.47 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.91 0.884 . . . . 0.0 112.557 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -53.57 50.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.802 0.728 . . . . 0.0 110.273 168.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -63.99 -38.71 92.09 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.962 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -57.83 -47.76 81.72 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.727 1.149 . . . . 0.0 113.156 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 38' ' ' GLN . . . . . 0.491 ' CB ' HG13 ' C' ' 26' ' ' VAL . 89.0 mm-40 -69.98 -39.55 75.87 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.02 -1.05 . . . . 0.0 112.024 175.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -55.77 -41.03 73.43 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.086 171.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -57.04 -19.92 21.62 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 129.312 3.045 . . . . 0.0 114.364 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -119.92 -42.9 2.58 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.708 1.603 . . . . 0.0 113.219 -173.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -80.58 -25.88 38.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.917 1.687 . . . . 0.0 113.138 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -131.59 -16.5 3.01 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.285 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 126.769 2.028 . . . . 0.0 114.578 176.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.738 HD21 HG22 ' B' ' 18' ' ' VAL . 0.8 OUTLIER . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -77.11 24.09 0.18 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 -162.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m 63.68 -32.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 130.432 3.493 . . . . 0.0 115.883 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -62.04 -50.53 71.62 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.628 1.971 . . . . 0.0 110.395 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' HB2' HD11 ' A' ' 10' ' ' LEU . 3.6 m95 -75.15 -27.04 59.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.698 1.199 . . . . 0.0 111.947 -175.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -65.95 -50.75 63.28 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.406 1.882 . . . . 0.0 111.215 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -29.5 68.87 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 118.318 -0.848 . . . . 0.0 112.405 176.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.48 -46.19 80.74 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.412 1.085 . . . . 0.0 113.142 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.5 -39.66 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 121.055 -1.028 . . . . 0.0 111.928 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -61.0 -40.26 92.83 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.09 -1.006 . . . . 0.0 112.043 170.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -40.44 80.84 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.237 1.015 . . . . 0.0 112.01 171.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -43.93 79.08 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.582 1.083 . . . . 0.0 111.685 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.9 mmm -62.63 -37.17 85.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.065 0.546 . . . . 0.0 112.163 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -87.59 -34.0 18.69 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -85.58 8.75 18.22 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.16 22.51 68.06 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.425 1.012 . . . . 0.0 115.101 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -73.68 148.03 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.098 1.359 . . . . 0.0 111.979 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.2 m -65.88 103.15 0.87 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.93 0.892 . . . . 0.0 112.923 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -60.83 -27.64 68.22 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.554 1.542 . . . . 0.0 114.137 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -65.96 -35.18 79.89 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -67.36 -30.64 70.5 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 118.778 -0.629 . . . . 0.0 111.868 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -53.39 46.56 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.301 1.04 . . . . 0.0 110.812 174.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -63.5 -50.14 70.82 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.863 0.865 . . . . 0.0 113.005 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -65.22 -36.89 85.57 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -68.88 -35.72 77.22 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.689 0.796 . . . . 0.0 111.492 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -54.79 42.03 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.505 0.722 . . . . 0.0 111.016 170.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.92 -42.98 99.15 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.409 0.549 . . . . 0.0 111.614 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.91 -52.48 60.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.3 1.04 . . . . 0.0 112.362 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.414 ' CB ' HG13 ' B' ' 26' ' ' VAL . 99.1 mm-40 -69.65 -39.33 77.16 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.964 0.802 . . . . 0.0 112.965 177.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -56.11 -49.2 74.55 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.099 1.318 . . . . 0.0 110.806 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -81.96 3.59 25.88 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.53 -46.64 4.5 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.746 -1.222 . . . . 0.0 112.486 164.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -81.03 -50.29 9.86 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 127.336 2.254 . . . . 0.0 113.772 -176.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 t -93.61 -39.79 10.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.715 0.806 . . . . 0.0 112.079 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.935 0 C-N-CA 124.8 1.24 . . . . 0.0 112.237 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.0 tm? . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.413 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 8.7 t0 -63.48 139.48 58.77 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.277 0.56 . . . . 0.0 112.097 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.2 p -58.1 -31.03 66.73 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.798 -1.189 . . . . 0.0 113.407 -176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.34 -28.18 69.83 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.331 1.853 . . . . 0.0 114.789 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.644 ' HB2' HD11 ' B' ' 10' ' ' LEU . 1.9 m95 -99.95 -31.87 11.25 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.231 0.923 . . . . 0.0 112.16 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -54.32 -49.96 68.48 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.232 1.013 . . . . 0.0 109.552 170.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -35.01 77.94 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.769 -0.634 . . . . 0.0 112.293 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 14' ' ' TRP . 68.2 mt -65.94 -45.55 81.4 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.829 1.251 . . . . 0.0 112.457 175.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.738 HG22 HD21 ' A' ' 10' ' ' LEU . 13.6 p -69.81 -42.38 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.638 ' HG2' HD23 ' A' ' 10' ' ' LEU . 16.2 mtm105 -60.72 -39.1 87.35 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.779 0.832 . . . . 0.0 110.29 175.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.84 -41.68 96.29 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.512 1.125 . . . . 0.0 113.258 169.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.89 97.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 119.544 1.065 . . . . 0.0 110.968 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.2 mmt -60.29 -52.44 65.28 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 173.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -73.89 -30.85 62.83 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.37 8.44 27.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.866 1.266 . . . . 0.0 113.517 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.69 26.1 70.43 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.515 1.055 . . . . 0.0 115.184 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.414 HG13 ' CB ' ' A' ' 38' ' ' GLN . 24.2 t -69.9 149.39 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.126 1.37 . . . . 0.0 112.138 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.0 m -56.1 110.0 0.68 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.524 1.13 . . . . 0.0 112.351 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.89 -39.61 95.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.547 0.739 . . . . 0.0 112.141 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -61.57 -35.77 78.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.402 1.481 . . . . 0.0 113.924 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -62.7 -34.84 77.96 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.635 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -51.1 68.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.27 0.941 . . . . 0.0 111.491 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -64.59 -49.2 72.06 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.17 0.988 . . . . 0.0 112.853 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -63.81 -43.14 97.15 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 118.862 -0.59 . . . . 0.0 112.023 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -33.54 76.02 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.5 1.046 . . . . 0.0 112.32 173.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -57.08 13.8 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.242 0.928 . . . . 0.0 111.332 171.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -68.95 -34.43 75.35 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -56.98 -52.68 64.28 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.368 -0.833 . . . . 0.0 112.458 170.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -64.23 -41.29 97.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.705 175.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -56.73 -51.11 70.13 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.517 1.508 . . . . 0.0 111.089 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -83.6 -0.69 51.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -176.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -47.47 5.64 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.598 1.159 . . . . 0.0 112.635 160.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -42.58 13.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.469 1.908 . . . . 0.0 113.575 -165.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 27.6 t -95.09 -31.44 13.56 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.098 0.959 . . . . 0.0 111.578 168.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 125.658 1.583 . . . . 0.0 111.952 173.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' LEU . . . . . 0.722 HD21 HG22 ' D' ' 18' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 111.29 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -67.62 130.57 43.44 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.272 1.029 . . . . 0.0 110.531 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.8 m -57.41 -25.35 59.45 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.071 -1.018 . . . . 0.0 113.541 -172.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.41 -28.31 69.6 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.277 1.831 . . . . 0.0 114.101 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' TRP . . . . . 0.536 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.2 m95 -93.34 -34.11 13.62 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.472 1.033 . . . . 0.0 112.863 175.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.32 -46.81 72.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.79 1.236 . . . . 0.0 110.299 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -32.12 73.3 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.802 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' C' ' 14' ' ' TRP . 39.2 mt -69.3 -45.66 69.06 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.487 1.115 . . . . 0.0 112.311 175.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.37 -43.04 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.57 -0.706 . . . . 0.0 111.585 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -56.07 -46.56 78.96 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.665 1.186 . . . . 0.0 112.429 170.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -58.22 -42.43 86.25 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.034 1.334 . . . . 0.0 112.958 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.96 91.21 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.465 -0.772 . . . . 0.0 111.636 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 4.6 mmm -59.62 -41.65 90.91 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 70.1 p -80.35 -30.47 38.0 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -82.93 6.99 16.72 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.42 18.26 79.29 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.888 0.756 . . . . 0.0 114.418 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' D' ' 38' ' ' GLN . 17.3 t -62.4 144.86 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.469 1.508 . . . . 0.0 110.82 176.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 74.2 m -58.65 112.67 1.7 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.813 0.845 . . . . 0.0 111.677 -175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -63.53 -32.54 74.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.69 0.796 . . . . 0.0 112.218 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -65.92 -37.3 85.71 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.522 1.129 . . . . 0.0 113.432 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -63.12 -29.08 70.51 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -176.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.33 -46.69 87.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.281 0.946 . . . . 0.0 111.661 172.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -64.71 -48.23 75.4 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.663 0.665 . . . . 0.0 112.218 172.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.9 -36.3 83.93 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -29.68 58.32 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 120.215 1.37 . . . . 0.0 112.001 173.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' D' ' 21' ' ' ALA . 0.2 OUTLIER -56.21 -50.94 69.82 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.924 0.784 . . . . 0.0 110.454 165.049 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -60.47 -41.85 95.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.393 0.677 . . . . 0.0 112.09 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -57.55 -51.15 70.66 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.054 1.341 . . . . 0.0 112.529 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' GLN . . . . . 0.458 ' CB ' HG13 ' D' ' 26' ' ' VAL . 89.0 mm-40 -71.72 -38.3 70.52 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.765 -0.584 . . . . 0.0 111.789 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -55.79 -37.54 68.72 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.222 0.919 . . . . 0.0 111.244 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.58 -17.97 17.07 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.553 2.741 . . . . 0.0 115.295 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -128.14 -40.9 1.63 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.139 1.375 . . . . 0.0 113.437 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -75.29 -22.62 57.61 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.961 1.304 . . . . 0.0 113.006 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 32.3 t -128.49 -22.9 3.27 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.732 1.213 . . . . 0.0 113.331 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.312 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 127.035 2.134 . . . . 0.0 113.961 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 10' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.6 tm? . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.907 0.384 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 11' ' ' ASP . . . . . 0.423 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 8.8 t0 -69.25 137.1 52.84 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.624 0.769 . . . . 0.0 112.071 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.7 t -56.75 -30.15 63.28 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.645 -1.284 . . . . 0.0 113.059 -177.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.89 -24.17 67.63 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' TRP . . . . . 0.59 ' HB2' HD11 ' D' ' 10' ' ' LEU . 1.7 m95 -105.62 -29.52 10.08 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.469 1.108 . . . . 0.0 112.577 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -53.77 -48.54 69.64 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.55 1.14 . . . . 0.0 109.308 169.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -37.52 83.18 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.568 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.04 -50.0 67.91 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.979 1.311 . . . . 0.0 111.928 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.722 HG22 HD21 ' C' ' 10' ' ' LEU . 11.3 p -65.82 -41.15 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.701 0.682 . . . . 0.0 112.65 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.6 ' HG2' HD23 ' C' ' 10' ' ' LEU . 20.5 mtm105 -63.91 -42.42 97.42 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.518 -0.739 . . . . 0.0 110.304 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.04 -37.53 77.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.137 1.375 . . . . 0.0 113.266 172.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' C' ' 35' ' ' LEU . . . -67.24 -44.97 78.12 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.218 -0.927 . . . . 0.0 111.253 174.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mmm -60.9 -36.53 79.47 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 80.8 p -83.19 -32.87 26.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -83.4 8.31 14.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.696 1.135 . . . . 0.0 114.037 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.94 18.76 76.51 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.358 0.98 . . . . 0.0 114.279 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' VAL . . . . . 0.458 HG13 ' CB ' ' C' ' 38' ' ' GLN . 28.9 t -64.42 142.38 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.267 1.427 . . . . 0.0 110.662 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 75.3 m -58.38 112.98 1.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.049 0.94 . . . . 0.0 111.747 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -63.49 -25.92 68.48 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -172.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -70.22 -34.49 72.95 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.808 0.843 . . . . 0.0 113.27 171.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -62.28 -25.53 67.9 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 123.457 0.703 . . . . 0.0 112.588 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.16 -59.65 4.38 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.567 0.621 . . . . 0.0 111.167 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -63.11 -47.36 83.14 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.741 0.817 . . . . 0.0 112.838 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -66.36 -36.25 82.41 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -72.11 -35.6 69.2 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.063 -1.023 . . . . 0.0 112.017 171.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.28 -49.36 69.77 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.632 -0.668 . . . . 0.0 110.431 170.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.52 -45.85 92.47 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.923 1.289 . . . . 0.0 112.453 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.09 -47.1 68.81 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.871 1.268 . . . . 0.0 112.277 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' GLN . . . . . 0.468 ' CB ' HG13 ' C' ' 26' ' ' VAL . 93.8 mm-40 -74.4 -46.36 40.7 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 175.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.1 -35.15 61.82 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 117.767 -1.111 . . . . 0.0 111.208 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.56 -23.34 10.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.286 2.234 . . . . 0.0 114.615 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -127.24 -38.12 2.0 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.131 1.772 . . . . 0.0 113.109 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -67.93 -21.27 65.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.768 1.227 . . . . 0.0 113.268 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 45.5 p -138.4 -29.32 0.81 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.92 0 C-N-CA 126.124 1.77 . . . . 0.0 113.923 -174.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.658 HD21 HG22 ' B' ' 18' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.49 0.662 . . . . 0.0 111.366 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.7 t0 -69.2 131.67 45.3 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.168 0.987 . . . . 0.0 110.365 175.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -57.17 -25.62 59.27 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.138 -0.976 . . . . 0.0 113.301 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.66 -26.02 68.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.332 1.853 . . . . 0.0 114.885 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.529 ' HB2' HD11 ' A' ' 10' ' ' LEU . 3.3 m95 -99.54 -32.93 10.86 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.273 0.942 . . . . 0.0 112.845 175.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -53.9 -46.6 71.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.341 1.457 . . . . 0.0 110.119 171.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -32.4 73.93 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 118.666 -0.683 . . . . 0.0 112.476 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 14' ' ' TRP . 52.5 mt -70.98 -50.0 39.18 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.813 1.245 . . . . 0.0 111.825 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.88 -42.32 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.874 -0.516 . . . . 0.0 111.773 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.0 ttp180 -62.58 -41.97 99.27 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.883 1.273 . . . . 0.0 112.506 175.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.8 -43.91 85.95 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.991 0.916 . . . . 0.0 112.636 170.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.97 97.81 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.549 0.613 . . . . 0.0 111.212 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.4 mmm -61.65 -44.25 97.32 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.1 p -81.71 -31.61 32.04 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -86.0 6.08 30.4 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.78 18.06 71.24 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.599 1.095 . . . . 0.0 115.492 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.402 HG13 ' CB ' ' B' ' 38' ' ' GLN . 13.1 t -68.44 149.85 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.465 1.506 . . . . 0.0 112.106 178.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.2 m -63.67 97.58 0.16 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.484 1.114 . . . . 0.0 112.695 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -60.07 -27.99 67.43 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.891 1.676 . . . . 0.0 113.862 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -61.25 -36.77 80.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.302 1.041 . . . . 0.0 113.576 169.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -65.64 -34.56 78.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 118.983 -0.532 . . . . 0.0 111.869 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -56.28 -49.37 74.42 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.744 0.702 . . . . 0.0 110.666 173.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -62.92 -53.16 58.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -61.96 -42.8 99.53 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 117.896 0.316 . . . . 0.0 111.35 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.13 -33.8 75.16 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.593 0.757 . . . . 0.0 112.253 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.32 -54.47 46.47 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.655 0.782 . . . . 0.0 111.054 173.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -69.24 -35.65 76.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 122.984 0.514 . . . . 0.0 112.182 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -55.18 -53.41 56.35 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.872 0.869 . . . . 0.0 112.199 167.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' CB ' HG13 ' B' ' 26' ' ' VAL . 95.5 mm-40 -65.79 -36.97 85.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 118.108 -0.949 . . . . 0.0 112.577 177.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -56.29 -50.69 70.68 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.647 1.567 . . . . 0.0 110.079 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -77.32 -12.73 59.99 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.81 -46.57 8.85 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.623 1.556 . . . . 0.0 113.035 167.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -83.29 -52.4 6.6 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.433 2.293 . . . . 0.0 113.313 -174.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -93.17 -35.04 13.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.087 0.955 . . . . 0.0 112.156 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 125.61 1.564 . . . . 0.0 112.389 171.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.1 tm? . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.414 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 6.7 t0 -62.41 137.45 58.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.631 0.772 . . . . 0.0 112.32 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 42.3 t -57.54 -30.53 65.27 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.124 -0.985 . . . . 0.0 112.832 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.63 -26.19 67.84 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.608 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.0 m95 -103.21 -31.59 10.03 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.254 1.022 . . . . 0.0 112.218 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -53.39 -49.15 67.85 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.851 1.26 . . . . 0.0 109.448 169.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -34.79 77.96 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 14' ' ' TRP . 80.8 mt -65.54 -48.62 71.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.534 1.134 . . . . 0.0 111.82 175.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.658 HG22 HD21 ' A' ' 10' ' ' LEU . 11.0 p -66.41 -41.5 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.629 -0.669 . . . . 0.0 112.802 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.627 ' HG2' HD23 ' A' ' 10' ' ' LEU . 16.3 mtm180 -62.65 -41.86 99.28 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.41 -0.807 . . . . 0.0 110.669 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.06 -41.75 84.02 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.589 1.156 . . . . 0.0 112.302 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.44 94.24 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 118.865 0.757 . . . . 0.0 111.405 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.9 mmm -63.05 -42.81 99.8 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 81.8 p -77.92 -28.12 49.6 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.8 t -74.09 -27.3 60.82 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.906 0.775 . . . . 0.0 112.474 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.54 26.6 46.18 Favored Glycine 0 CA--C 1.536 1.402 0 O-C-N 121.379 -0.826 . . . . 0.0 112.841 -169.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.403 HG13 ' CB ' ' A' ' 38' ' ' GLN . 10.3 t -63.08 151.35 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.175 1.79 . . . . 0.0 110.952 173.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 55.7 m -60.96 96.49 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.114 0.966 . . . . 0.0 112.848 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -61.43 -27.67 68.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.633 1.173 . . . . 0.0 113.432 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -66.13 -35.59 80.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.108 1.363 . . . . 0.0 114.202 170.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -67.63 -29.48 68.8 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.226 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.22 -59.34 4.51 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.738 0.699 . . . . 0.0 110.36 173.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.79 -48.31 79.66 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.449 1.1 . . . . 0.0 113.359 -176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -65.2 -41.62 94.35 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 117.995 0.361 . . . . 0.0 111.516 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -68.35 -36.36 79.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.745 0.702 . . . . 0.0 112.249 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -54.74 39.37 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.794 1.238 . . . . 0.0 110.512 174.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.81 -35.45 72.52 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.82 0.848 . . . . 0.0 111.872 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.3 -49.77 71.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.177 0.991 . . . . 0.0 112.324 167.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.402 ' CB ' HG13 ' A' ' 26' ' ' VAL . 82.7 mm-40 -67.7 -39.14 84.41 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.32 0.964 . . . . 0.0 112.739 174.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -55.34 -46.57 76.39 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.63 1.559 . . . . 0.0 109.932 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -81.71 3.83 24.12 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -105.93 -47.71 3.8 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.172 1.389 . . . . 0.0 112.733 165.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.12 -47.73 41.7 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.741 2.016 . . . . 0.0 112.572 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -117.12 -27.93 6.36 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -166.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.944 0 C-N-CA 125.35 1.46 . . . . 0.0 113.37 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' LEU . . . . . 0.738 HD21 HG22 ' D' ' 18' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 121.678 0.751 . . . . 0.0 110.535 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' CD1' ' C' ' 14' ' ' TRP . 10.1 t0 -66.27 140.54 58.14 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.355 1.062 . . . . 0.0 111.167 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 90.1 p -57.88 -28.92 64.62 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.969 -1.082 . . . . 0.0 113.101 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.21 -28.66 69.83 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.751 2.02 . . . . 0.0 114.5 175.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' TRP . . . . . 0.492 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.0 m95 -100.62 -32.5 10.72 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.372 0.987 . . . . 0.0 112.449 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.16 -47.03 72.41 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.741 1.216 . . . . 0.0 110.03 170.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -31.72 72.72 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.608 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' C' ' 14' ' ' TRP . 61.8 mt -69.69 -46.63 65.6 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.792 1.237 . . . . 0.0 112.015 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.479 HG22 HD21 ' D' ' 10' ' ' LEU . 14.9 p -67.17 -40.95 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 120.26 -0.576 . . . . 0.0 112.004 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 32.1 mtm105 -60.57 -41.77 95.31 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.09 -1.006 . . . . 0.0 111.761 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.96 -40.64 81.08 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.44 1.096 . . . . 0.0 112.564 173.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.02 85.4 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.605 -0.684 . . . . 0.0 110.729 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mmm -61.74 -38.31 87.48 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -81.68 -32.27 31.82 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 14.7 t -77.97 -3.43 41.94 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.17 23.03 76.31 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 120.592 -1.318 . . . . 0.0 113.452 -175.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' VAL . . . . . 0.497 HG13 ' CB ' ' D' ' 38' ' ' GLN . 17.0 t -62.97 145.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.742 1.617 . . . . 0.0 110.136 175.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 58.0 m -57.39 109.01 0.61 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.793 0.837 . . . . 0.0 111.936 -171.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -65.15 -27.21 68.57 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -172.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.0 -39.65 87.17 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.661 0.784 . . . . 0.0 112.639 171.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -59.91 -28.8 67.9 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.306 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -51.2 63.7 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.9 1.227 . . . . 0.0 111.477 173.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -66.54 -47.2 73.61 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.392 0.677 . . . . 0.0 112.692 173.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -63.51 -42.98 98.47 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -32.36 68.45 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.767 1.227 . . . . 0.0 112.724 173.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -54.02 47.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.438 1.017 . . . . 0.0 110.413 166.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.8 -38.53 91.43 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.439 -0.791 . . . . 0.0 112.237 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.34 -51.96 65.06 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.189 1.396 . . . . 0.0 112.241 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' GLN . . . . . 0.472 ' CB ' HG13 ' D' ' 26' ' ' VAL . 90.8 mm-40 -71.57 -40.32 70.03 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.704 -0.622 . . . . 0.0 112.18 176.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -54.11 -39.11 66.11 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.318 0.963 . . . . 0.0 111.25 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -54.86 -26.04 32.71 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 128.0 2.52 . . . . 0.0 114.222 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -117.6 -42.47 2.86 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.413 1.485 . . . . 0.0 113.652 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -72.9 -24.2 60.8 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.311 1.444 . . . . 0.0 113.102 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 42.0 t -129.76 -27.55 2.32 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.587 1.155 . . . . 0.0 113.54 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 126.067 1.747 . . . . 0.0 113.248 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 10' ' ' LEU . . . . . 0.653 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' ASP . . . . . 0.404 ' O ' HD13 ' D' ' 10' ' ' LEU . 9.7 t0 -63.76 131.89 49.26 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.022 0.529 . . . . 0.0 111.434 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.9 m -58.64 -24.04 60.32 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.951 -1.093 . . . . 0.0 113.828 -171.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.57 -31.61 72.45 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.206 1.802 . . . . 0.0 114.275 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 14' ' ' TRP . . . . . 0.653 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.4 m95 -95.17 -31.78 13.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.361 0.982 . . . . 0.0 112.23 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -55.51 -47.87 75.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.984 1.714 . . . . 0.0 110.71 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -32.49 74.08 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.405 -0.81 . . . . 0.0 112.955 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' D' ' 14' ' ' TRP . 54.4 mt -69.27 -47.77 63.65 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.712 1.205 . . . . 0.0 112.025 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.738 HG22 HD21 ' C' ' 10' ' ' LEU . 7.8 p -64.48 -40.54 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 O-C-N 121.455 -0.778 . . . . 0.0 112.484 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.606 ' HG2' HD23 ' C' ' 10' ' ' LEU . 76.4 mtm180 -63.48 -41.31 98.58 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.479 -0.763 . . . . 0.0 110.887 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.01 -38.24 75.79 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.554 1.142 . . . . 0.0 112.952 171.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.1 79.73 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 121.367 -0.833 . . . . 0.0 111.176 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.4 mmm -62.15 -40.49 96.14 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 81.4 p -78.26 -35.58 47.94 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 5.8 t -79.91 5.44 13.83 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.49 22.53 76.53 Favored Glycine 0 CA--C 1.537 1.408 0 O-C-N 121.089 -1.007 . . . . 0.0 113.936 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' C' ' 38' ' ' GLN . 40.5 t -65.11 143.93 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.44 1.496 . . . . 0.0 110.743 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 74.1 m -58.24 110.75 1.01 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.817 0.847 . . . . 0.0 112.102 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -65.36 -27.78 68.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -67.64 -42.84 81.63 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 118.592 0.633 . . . . 0.0 111.874 170.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -60.94 -28.33 68.88 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -55.86 21.18 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.998 0.817 . . . . 0.0 111.107 170.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -66.0 -47.36 74.76 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.32 1.048 . . . . 0.0 113.005 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.18 -37.52 87.6 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.39 -34.34 63.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.271 1.028 . . . . 0.0 111.887 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.15 -52.32 59.12 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.659 -0.651 . . . . 0.0 110.378 166.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -65.18 -36.77 85.25 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.295 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -57.9 -48.84 78.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.732 1.213 . . . . 0.0 112.351 174.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' GLN . . . . . 0.497 ' CB ' HG13 ' C' ' 26' ' ' VAL . 95.5 mm-40 -69.47 -42.99 74.12 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.729 -0.607 . . . . 0.0 111.74 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -52.53 -43.43 65.14 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.089 0.859 . . . . 0.0 110.663 173.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -53.59 -21.64 7.03 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 128.533 2.733 . . . . 0.0 114.636 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -129.08 -37.83 1.66 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.853 1.661 . . . . 0.0 113.697 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -75.58 -28.2 58.86 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.129 1.372 . . . . 0.0 113.047 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 92.4 p -133.53 -16.04 2.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.413 1.085 . . . . 0.0 113.696 175.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.263 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 127.388 2.275 . . . . 0.0 114.403 177.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.641 HD21 HG22 ' B' ' 18' ' ' VAL . 1.1 tm? . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.3 t0 -66.82 137.62 56.74 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.927 1.291 . . . . 0.0 111.438 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -57.4 -29.08 63.81 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.942 -1.099 . . . . 0.0 112.317 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -60.67 -26.84 67.39 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.806 1.642 . . . . 0.0 115.372 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.486 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.6 m95 -102.63 -32.06 10.07 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.277 0.944 . . . . 0.0 112.575 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.5 -47.27 70.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.27 1.428 . . . . 0.0 110.001 170.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -35.16 79.89 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.499 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 14' ' ' TRP . 77.7 mt -67.63 -50.4 58.22 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.505 1.122 . . . . 0.0 111.688 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.429 HG22 HD21 ' B' ' 10' ' ' LEU . 11.6 p -65.71 -42.26 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.793 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 ttp-105 -61.55 -41.65 97.68 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.415 -0.803 . . . . 0.0 112.143 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.11 -40.72 81.93 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.578 1.151 . . . . 0.0 113.088 171.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HB2' HD21 ' B' ' 35' ' ' LEU . . . -67.09 -41.43 86.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.469 1.031 . . . . 0.0 111.389 176.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.2 mmm -62.71 -40.65 97.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.5 p -80.15 -37.27 33.82 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -84.13 5.81 24.78 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.17 17.81 80.17 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.51 1.052 . . . . 0.0 114.996 173.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 t -64.41 150.27 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.187 1.795 . . . . 0.0 111.762 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -61.21 96.61 0.05 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.842 1.257 . . . . 0.0 112.921 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -62.95 -25.36 68.32 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.498 1.119 . . . . 0.0 113.622 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -64.06 -34.55 78.27 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.076 1.35 . . . . 0.0 114.232 169.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -67.22 -32.33 73.32 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 118.879 -0.582 . . . . 0.0 111.899 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.57 -59.55 4.32 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.392 0.677 . . . . 0.0 110.855 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -61.53 -48.08 82.68 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.227 1.011 . . . . 0.0 113.214 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -65.9 -42.36 90.32 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.71 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -66.39 -36.32 82.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.063 0.847 . . . . 0.0 112.068 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.82 39.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.981 1.312 . . . . 0.0 110.635 174.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -69.3 -35.44 76.0 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.455 0.702 . . . . 0.0 112.281 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -54.33 46.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.669 169.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -64.75 -38.59 91.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.941 1.246 . . . . 0.0 112.584 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -54.75 -47.2 74.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 120.422 1.465 . . . . 0.0 109.912 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -76.67 -30.32 56.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -76.39 -41.29 48.4 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 121.075 1.761 . . . . 0.0 112.338 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -81.6 -50.51 9.26 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.051 2.14 . . . . 0.0 113.287 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 m -109.86 -27.5 9.24 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -171.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . 0.264 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 126.618 1.967 . . . . 0.0 112.598 175.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' B' ' 14' ' ' TRP . 2.7 tm? . . . . . 0 N--CA 1.47 0.565 0 CA-C-O 120.74 0.305 . . . . 0.0 111.687 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -63.79 139.61 58.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.857 0.863 . . . . 0.0 112.548 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -58.69 -30.16 67.18 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.796 -1.19 . . . . 0.0 113.611 -175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -64.33 -25.45 68.04 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.281 1.832 . . . . 0.0 114.837 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.606 ' HB2' HD11 ' B' ' 10' ' ' LEU . 1.8 m95 -103.5 -31.05 10.15 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.146 0.978 . . . . 0.0 112.311 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.68 -49.35 68.18 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.287 1.035 . . . . 0.0 109.013 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -34.37 75.83 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' B' ' 14' ' ' TRP . 67.7 mt -67.03 -48.36 68.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.009 1.324 . . . . 0.0 112.265 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.641 HG22 HD21 ' A' ' 10' ' ' LEU . 14.6 p -66.57 -41.83 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.428 -0.795 . . . . 0.0 112.446 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.576 ' HG2' HD23 ' A' ' 10' ' ' LEU . 13.5 mtm105 -65.91 -39.01 90.18 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.405 -0.809 . . . . 0.0 110.714 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.99 -45.79 86.23 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.014 0.926 . . . . 0.0 112.37 170.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.05 99.47 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.664 0.665 . . . . 0.0 111.711 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 2.6 mmm -62.93 -43.46 98.75 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 47.3 p -81.78 -31.62 31.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -86.9 4.24 42.25 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.88 21.49 59.34 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.45 1.024 . . . . 0.0 115.554 174.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 25.2 t -72.74 150.09 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.816 1.246 . . . . 0.0 112.127 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 51.0 m -59.16 102.23 0.12 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.948 1.299 . . . . 0.0 112.956 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -59.48 -33.81 71.8 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.067 1.347 . . . . 0.0 113.169 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -64.44 -36.21 83.43 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.045 1.338 . . . . 0.0 113.789 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -64.6 -33.41 75.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 118.828 -0.606 . . . . 0.0 111.87 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.44 -48.62 78.66 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.769 0.713 . . . . 0.0 110.715 173.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.404 ' HA ' HD22 ' A' ' 17' ' ' LEU . 12.1 tpt180 -63.62 -52.46 60.74 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -63.22 -40.64 98.03 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 117.857 0.299 . . . . 0.0 111.579 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -70.0 -32.96 71.4 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.666 -0.646 . . . . 0.0 112.323 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -57.69 -53.56 56.8 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.851 0.75 . . . . 0.0 110.909 172.796 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.24 -37.71 86.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.606 0.762 . . . . 0.0 112.035 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.64 -52.61 64.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.664 0.785 . . . . 0.0 112.806 171.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.73 -39.99 95.82 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.432 1.014 . . . . 0.0 111.663 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -56.77 -51.5 68.66 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.887 1.221 . . . . 0.0 111.025 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -78.69 -3.6 44.92 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -48.0 4.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.603 1.161 . . . . 0.0 112.616 164.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -43.97 16.0 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.21 1.804 . . . . 0.0 113.623 -169.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.4 t -98.17 -30.19 12.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.442 1.097 . . . . 0.0 111.86 173.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.83 0 C-N-CA 125.64 1.576 . . . . 0.0 111.859 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' C' ' 14' ' ' TRP . 2.5 tm? . . . . . 0 N--CA 1.467 0.375 0 CA-C-O 120.864 0.364 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' ASP . . . . . 0.419 ' HB3' ' CD1' ' C' ' 14' ' ' TRP . 6.8 t0 -66.72 138.23 57.25 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.384 0.674 . . . . 0.0 112.065 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -58.31 -28.37 64.97 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.894 -1.128 . . . . 0.0 113.552 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.22 -24.04 65.79 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.126 1.77 . . . . 0.0 114.808 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' TRP . . . . . 0.601 ' HB2' HD11 ' C' ' 10' ' ' LEU . 2.1 m95 -103.45 -32.06 9.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.936 0.894 . . . . 0.0 112.731 176.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.01 -46.1 68.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.419 1.487 . . . . 0.0 109.892 170.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -34.82 78.83 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.224 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' C' ' 14' ' ' TRP . 65.6 mt -69.14 -48.05 63.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.881 1.273 . . . . 0.0 111.985 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.18 -41.57 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 O-C-N 121.723 -0.611 . . . . 0.0 112.169 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -63.67 -39.68 94.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.734 1.213 . . . . 0.0 112.987 174.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -61.12 -40.62 94.48 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.751 1.22 . . . . 0.0 113.098 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.6 -48.28 75.51 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.477 -0.764 . . . . 0.0 111.665 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 6.3 mmm -57.37 -44.98 84.85 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.709 0.403 . . . . 0.0 111.999 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 44.2 p -77.73 -30.76 51.82 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 3.6 t -84.83 7.86 19.34 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.88 22.16 78.41 Favored Glycine 0 CA--C 1.535 1.331 0 O-C-N 121.072 -1.017 . . . . 0.0 114.906 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' VAL . . . . . 0.474 HG13 ' CB ' ' D' ' 38' ' ' GLN . 25.0 t -66.46 147.04 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.306 1.443 . . . . 0.0 111.071 175.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 68.3 m -58.19 111.58 1.25 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.971 0.908 . . . . 0.0 112.405 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -62.27 -31.1 71.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.491 1.117 . . . . 0.0 113.341 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -69.28 -37.06 77.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.092 0.957 . . . . 0.0 113.358 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -63.1 -29.38 70.75 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.157 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.91 -49.1 76.62 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 119.233 0.924 . . . . 0.0 111.406 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -64.91 -47.01 79.3 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 171.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.02 -37.26 87.04 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -30.29 56.93 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.699 1.136 . . . . 0.0 112.079 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -50.94 65.7 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.509 -0.744 . . . . 0.0 109.772 165.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.69 -44.62 95.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.002 0.921 . . . . 0.0 111.955 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -52.98 -48.17 67.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.415 1.486 . . . . 0.0 112.113 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' GLN . . . . . 0.438 ' CB ' HG13 ' D' ' 26' ' ' VAL . 86.8 mm-40 -73.02 -43.13 62.47 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.662 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -54.61 -40.43 68.89 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.971 1.26 . . . . 0.0 111.516 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -54.06 -29.75 45.42 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.141 2.576 . . . . 0.0 113.728 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -116.89 -38.87 3.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.114 1.365 . . . . 0.0 113.874 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -74.22 -26.0 59.99 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.182 1.393 . . . . 0.0 113.184 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -131.43 -28.86 1.83 Allowed 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.924 1.69 . . . . 0.0 111.932 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 120.776 0.322 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 7.1 t0 -63.85 135.93 56.98 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.926 0.89 . . . . 0.0 112.187 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 46.8 t -56.55 -29.38 61.9 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.88 -1.138 . . . . 0.0 112.614 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -64.18 -22.99 67.15 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' TRP . . . . . 0.584 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.0 m95 -106.54 -31.82 8.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.354 1.062 . . . . 0.0 112.761 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -51.93 -45.54 64.35 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.404 1.481 . . . . 0.0 110.041 168.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -36.19 82.81 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.325 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.87 -48.29 66.5 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.852 1.261 . . . . 0.0 111.79 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.403 HG22 HD21 ' C' ' 10' ' ' LEU . 8.7 p -66.56 -41.32 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.859 -0.526 . . . . 0.0 112.219 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -64.37 -39.4 93.8 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.975 -1.078 . . . . 0.0 112.981 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -59.61 -41.29 90.02 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.962 1.305 . . . . 0.0 112.594 170.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.57 73.96 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.627 -0.671 . . . . 0.0 112.148 174.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 5.3 mmm -58.55 -40.08 82.02 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.932 0.493 . . . . 0.0 112.107 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 41.4 p -79.94 -32.76 40.03 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -83.07 7.96 14.33 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.68 21.92 79.33 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 120.991 -1.068 . . . . 0.0 114.649 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' VAL . . . . . 0.438 HG13 ' CB ' ' C' ' 38' ' ' GLN . 19.9 t -64.27 146.81 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.921 1.289 . . . . 0.0 111.126 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 71.8 m -56.82 112.34 1.28 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.306 1.042 . . . . 0.0 111.738 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -64.07 -26.89 68.75 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -70.74 -37.56 73.48 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.631 0.772 . . . . 0.0 112.639 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -59.56 -28.17 66.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.976 0.807 . . . . 0.0 112.832 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.81 -57.36 11.88 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.752 -0.642 . . . . 0.0 111.336 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -63.85 -45.1 91.01 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.37 -41.24 96.82 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.528 0.604 . . . . 0.0 111.74 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -73.23 -36.78 66.52 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.201 0.6 . . . . 0.0 112.298 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -52.79 59.67 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.122 0.569 . . . . 0.0 110.401 171.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -63.25 -41.15 99.03 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 118.634 -0.698 . . . . 0.0 111.52 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -56.57 -44.68 81.22 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.013 0.925 . . . . 0.0 112.768 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' GLN . . . . . 0.474 ' CB ' HG13 ' C' ' 26' ' ' VAL . 92.5 mm-40 -72.38 -40.99 66.84 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.121 -0.987 . . . . 0.0 112.723 173.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -55.77 -41.94 74.78 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.876 1.216 . . . . 0.0 110.815 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -54.1 -31.29 51.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 128.029 2.532 . . . . 0.0 113.327 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -107.77 -42.04 4.84 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.908 1.683 . . . . 0.0 113.869 -175.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -82.46 -28.81 31.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.191 1.796 . . . . 0.0 113.218 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -122.15 -33.64 3.47 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.864 1.266 . . . . 0.0 112.884 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 C-N-CA 125.924 1.69 . . . . 0.0 113.592 173.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 14' ' ' TRP . 2.5 tm? . . . . . 0 N--CA 1.471 0.594 0 CA-C-O 120.824 0.345 . . . . 0.0 111.795 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 7.4 t0 -68.0 138.37 55.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.802 0.841 . . . . 0.0 112.444 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.8 t -55.93 -30.24 61.34 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.879 -1.138 . . . . 0.0 112.868 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -63.43 -25.44 68.28 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.592 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.3 m95 -105.29 -30.05 9.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.463 1.105 . . . . 0.0 112.209 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -53.35 -49.05 67.93 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.602 1.161 . . . . 0.0 109.155 169.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -36.15 79.83 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.838 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.49 -48.07 71.01 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.151 1.381 . . . . 0.0 111.959 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.636 HG22 HD21 ' B' ' 10' ' ' LEU . 14.5 p -66.89 -43.01 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.604 ' HG2' HD23 ' B' ' 10' ' ' LEU . 12.7 mtm105 -62.89 -41.66 99.5 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.51 -0.744 . . . . 0.0 110.024 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.07 -40.93 82.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.489 1.116 . . . . 0.0 113.207 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.7 91.04 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.454 1.024 . . . . 0.0 111.086 177.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mmm -64.66 -42.2 95.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.8 p -81.46 -34.0 31.68 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 t -84.92 8.23 18.29 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.09 18.96 78.2 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.489 1.042 . . . . 0.0 115.072 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.34 150.33 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.787 1.635 . . . . 0.0 111.699 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.8 m -57.62 101.55 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.723 1.209 . . . . 0.0 112.909 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -61.99 -28.87 69.87 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.969 1.307 . . . . 0.0 113.37 -177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.35 -34.93 79.08 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.118 1.367 . . . . 0.0 114.431 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -63.71 -31.86 73.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.144 0.429 . . . . 0.0 111.867 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -57.64 11.47 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.443 0.565 . . . . 0.0 110.868 177.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.49 -50.77 68.36 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.874 0.869 . . . . 0.0 113.103 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -62.27 -44.74 95.83 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 119.252 -0.404 . . . . 0.0 111.319 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -68.34 -32.53 72.7 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.21 0.914 . . . . 0.0 112.311 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' B' ' 21' ' ' ALA . 0.2 OUTLIER -56.4 -56.42 21.35 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.542 0.737 . . . . 0.0 111.645 172.269 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.89 -32.35 69.3 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.738 0.415 . . . . 0.0 112.014 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -56.74 -52.04 66.51 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.218 1.007 . . . . 0.0 112.599 167.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -65.76 -39.46 91.08 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.19 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -55.29 -49.94 70.83 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 120.052 1.296 . . . . 0.0 110.024 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -78.04 -0.99 30.11 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -46.03 4.22 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.863 1.665 . . . . 0.0 112.136 168.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.97 -48.46 13.33 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.32 2.248 . . . . 0.0 113.269 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -97.58 -36.42 10.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.141 0.976 . . . . 0.0 112.265 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 125.117 1.367 . . . . 0.0 112.383 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.636 HD21 HG22 ' A' ' 18' ' ' VAL . 1.4 tm? . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 121.213 0.53 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -64.98 132.34 49.0 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.966 0.906 . . . . 0.0 110.864 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -58.81 -24.69 62.28 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.923 -1.111 . . . . 0.0 113.333 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.31 -28.12 68.98 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.619 1.968 . . . . 0.0 114.682 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' TRP . . . . . 0.549 ' HB2' HD11 ' B' ' 10' ' ' LEU . 3.7 m95 -98.64 -32.58 11.34 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.404 1.002 . . . . 0.0 112.671 177.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -55.02 -46.9 75.28 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.25 1.42 . . . . 0.0 110.303 171.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -31.69 73.0 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 118.486 -0.769 . . . . 0.0 112.824 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' B' ' 14' ' ' TRP . 56.3 mt -70.63 -50.01 41.41 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.584 1.154 . . . . 0.0 111.789 176.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.42 -40.82 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.823 -0.548 . . . . 0.0 111.739 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -65.35 -37.76 88.02 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.178 -0.951 . . . . 0.0 112.418 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.93 -41.02 81.84 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.675 0.79 . . . . 0.0 111.948 168.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -68.2 -44.53 75.63 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.927 1.24 . . . . 0.0 111.574 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 8.6 mmm -62.02 -40.81 96.97 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 76.1 p -84.18 -30.74 25.56 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -88.31 7.98 29.67 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.19 24.17 72.05 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.214 0.911 . . . . 0.0 114.91 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.0 t -74.61 153.79 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.512 1.525 . . . . 0.0 112.098 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 46.2 m -65.54 89.93 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.636 1.174 . . . . 0.0 112.866 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -23.24 66.8 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -62.58 -37.77 87.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.167 0.987 . . . . 0.0 113.317 168.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -64.53 -35.02 79.6 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 119.17 -0.443 . . . . 0.0 111.036 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -49.61 75.76 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.758 0.708 . . . . 0.0 111.493 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.07 -52.24 56.79 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -62.88 -42.32 99.73 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 117.603 0.183 . . . . 0.0 111.35 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -69.34 -32.66 71.88 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.333 1.053 . . . . 0.0 112.46 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -56.73 17.63 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.947 0.794 . . . . 0.0 110.452 171.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -67.81 -33.79 75.47 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.07 0.548 . . . . 0.0 112.027 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -56.93 -54.47 46.2 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.041 0.936 . . . . 0.0 112.733 167.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -65.15 -37.58 87.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.299 0.954 . . . . 0.0 112.194 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -56.21 -49.97 72.58 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.921 1.237 . . . . 0.0 110.693 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -77.19 -2.1 32.81 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -47.47 4.48 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.844 1.657 . . . . 0.0 112.207 170.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.46 -56.49 4.58 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.531 1.933 . . . . 0.0 112.561 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.3 t -91.11 -34.48 15.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.036 0.934 . . . . 0.0 112.195 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.988 0 C-N-CA 124.68 1.192 . . . . 0.0 111.881 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' LEU . . . . . 0.722 HD21 HG22 ' D' ' 18' ' ' VAL . 1.1 tm? . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 121.448 0.642 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -69.0 132.33 46.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.031 0.932 . . . . 0.0 110.623 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 18.5 m -57.82 -24.85 59.31 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.934 -1.104 . . . . 0.0 113.534 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.96 -27.12 69.18 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.196 1.798 . . . . 0.0 114.745 173.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' TRP . . . . . 0.538 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.0 m95 -98.46 -32.41 11.5 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.02 0.928 . . . . 0.0 112.738 176.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -54.21 -47.44 72.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.726 1.21 . . . . 0.0 110.072 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -33.14 75.19 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.187 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' C' ' 14' ' ' TRP . 67.4 mt -69.54 -47.42 63.76 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.108 1.363 . . . . 0.0 111.934 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.483 HG22 HD21 ' D' ' 10' ' ' LEU . 14.8 p -67.02 -40.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.79 -0.569 . . . . 0.0 112.033 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.415 ' HG2' HD23 ' D' ' 10' ' ' LEU . 32.9 mtm105 -60.55 -43.89 96.73 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.305 -0.872 . . . . 0.0 111.288 171.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.81 -38.66 75.94 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.062 0.945 . . . . 0.0 112.931 172.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.8 80.95 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.111 -0.993 . . . . 0.0 111.137 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 2.4 mmm -62.05 -35.82 79.77 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 82.4 p -89.07 -32.7 17.43 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.725 1.379 . . . . 0.0 114.725 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -85.59 8.36 19.72 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.9 19.69 79.81 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.498 1.047 . . . . 0.0 114.684 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' VAL . . . . . 0.459 HG13 ' CB ' ' D' ' 38' ' ' GLN . 32.3 t -67.12 147.11 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 126.041 1.736 . . . . 0.0 111.588 -178.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 58.9 m -58.92 111.76 1.41 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.996 0.918 . . . . 0.0 112.123 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -65.93 -31.67 72.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.347 0.659 . . . . 0.0 112.546 -174.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -65.77 -37.33 86.05 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.821 0.848 . . . . 0.0 113.18 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -62.77 -29.24 70.54 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -55.94 27.87 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.163 0.892 . . . . 0.0 110.904 173.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -65.14 -49.8 68.48 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.535 0.734 . . . . 0.0 112.818 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -65.69 -37.15 85.66 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -73.43 -32.32 64.33 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.567 1.076 . . . . 0.0 112.229 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -54.67 40.58 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.625 -0.672 . . . . 0.0 110.173 167.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -60.36 -38.19 83.05 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.572 -0.727 . . . . 0.0 111.78 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -59.87 -49.77 76.4 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.1 1.36 . . . . 0.0 113.36 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' GLN . . . . . 0.413 ' CB ' HG13 ' D' ' 26' ' ' VAL . 83.4 mm-40 -70.53 -40.66 73.32 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.167 -0.958 . . . . 0.0 111.786 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -53.78 -39.24 65.26 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.288 1.035 . . . . 0.0 111.249 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -53.76 -25.44 18.88 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 128.603 2.761 . . . . 0.0 114.494 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -126.54 -36.45 2.26 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.045 1.338 . . . . 0.0 113.007 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -39.65 81.28 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.755 0.822 . . . . 0.0 112.492 170.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -127.81 -22.85 3.48 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -172.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 C-N-CA 126.16 1.784 . . . . 0.0 114.515 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' D' ' 14' ' ' TRP . 3.1 tm? . . . . . 0 C--O 1.234 0.246 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 11' ' ' ASP . . . . . 0.416 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 8.4 t0 -61.08 139.27 58.12 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.42 0.629 . . . . 0.0 112.357 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -56.33 -28.65 59.66 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.041 -1.037 . . . . 0.0 113.602 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.03 -25.5 67.09 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.008 1.723 . . . . 0.0 115.051 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 14' ' ' TRP . . . . . 0.582 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.7 m95 -102.47 -32.06 10.15 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.1 0.96 . . . . 0.0 112.184 177.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.26 -47.88 71.79 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.415 1.486 . . . . 0.0 110.347 170.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -36.16 79.84 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 118.874 -0.584 . . . . 0.0 112.1 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' D' ' 14' ' ' TRP . 68.0 mt -68.34 -48.03 65.93 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.963 1.305 . . . . 0.0 112.227 178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.722 HG22 HD21 ' C' ' 10' ' ' LEU . 9.4 p -65.52 -41.69 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.751 -0.593 . . . . 0.0 112.323 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.667 ' HG2' HD23 ' C' ' 10' ' ' LEU . 76.9 mtm180 -64.85 -39.96 94.38 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.519 -0.738 . . . . 0.0 110.554 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.04 -40.32 80.61 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.52 1.128 . . . . 0.0 113.01 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.35 89.46 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.995 0.816 . . . . 0.0 110.976 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mmm -62.23 -40.78 97.28 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p -80.38 -32.07 37.68 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 4.0 t -83.42 7.3 17.24 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.74 18.09 75.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.59 1.09 . . . . 0.0 114.434 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' VAL . . . . . 0.413 HG13 ' CB ' ' C' ' 38' ' ' GLN . 41.4 t -64.93 145.49 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.542 1.537 . . . . 0.0 111.203 -177.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 43.6 m -56.82 106.55 0.31 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.671 1.189 . . . . 0.0 112.42 -174.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -64.51 -27.94 69.32 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -66.64 -37.42 84.79 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.841 0.856 . . . . 0.0 113.141 172.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.86 -29.01 70.25 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.894 -0.574 . . . . 0.0 112.383 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -55.89 27.27 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.235 0.925 . . . . 0.0 110.897 172.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ARG . . . . . 0.421 ' HA ' HD22 ' C' ' 17' ' ' LEU . 4.1 tpt180 -65.81 -49.4 68.4 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.621 0.769 . . . . 0.0 112.927 178.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -67.26 -35.93 80.53 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -74.74 -31.41 61.8 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.603 1.092 . . . . 0.0 112.126 174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -52.51 61.63 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.51 -0.744 . . . . 0.0 110.049 166.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.77 -40.24 91.79 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.307 -0.854 . . . . 0.0 112.002 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -59.71 -45.27 92.64 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.078 1.351 . . . . 0.0 113.746 176.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 38' ' ' GLN . . . . . 0.459 ' CB ' HG13 ' C' ' 26' ' ' VAL . 94.7 mm-40 -71.17 -45.16 64.06 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.301 -0.874 . . . . 0.0 111.276 175.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -53.29 -36.3 61.06 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.295 173.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -53.99 -25.12 19.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 129.73 3.212 . . . . 0.0 114.787 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -126.36 -38.94 2.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.642 1.577 . . . . 0.0 112.696 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -35.45 81.06 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.131 0.972 . . . . 0.0 112.092 175.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -129.64 -24.05 2.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.969 0 C-N-CA 125.936 1.694 . . . . 0.0 113.963 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 112.238 -0.345 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -78.68 55.54 1.69 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.851 1.66 . . . . 0.0 113.356 -176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -70.2 157.1 38.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.829 1.251 . . . . 0.0 113.376 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.7 mmt 64.87 166.35 0.17 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.321 2.248 . . . . 0.0 115.964 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -83.93 9.54 11.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.735 1.614 . . . . 0.0 113.424 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -161.57 156.58 23.5 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.47 1.508 . . . . 0.0 111.574 -159.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -150.43 50.15 0.89 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.969 0.908 . . . . 0.0 112.81 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.88 11.64 60.99 Favored Glycine 0 CA--C 1.54 1.644 0 O-C-N 121.125 -0.984 . . . . 0.0 114.226 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -150.52 140.71 22.18 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.697 2.399 . . . . 0.0 109.43 -168.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.62 HD21 HG22 ' B' ' 18' ' ' VAL . 0.7 OUTLIER -70.85 127.93 34.29 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.638 0.732 . . . . 0.0 111.185 174.639 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 10.2 t0 -66.7 138.98 57.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.107 1.363 . . . . 0.0 111.519 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 t -57.08 -29.29 63.34 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.013 -1.054 . . . . 0.0 112.482 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.43 -29.43 69.94 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.425 1.49 . . . . 0.0 114.952 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.519 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.1 m95 -99.68 -31.82 11.37 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.168 0.895 . . . . 0.0 112.114 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -53.48 -47.63 69.62 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.193 1.397 . . . . 0.0 109.628 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -33.01 74.75 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 118.52 -0.752 . . . . 0.0 112.657 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 14' ' ' TRP . 66.8 mt -67.77 -46.21 72.68 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.586 1.154 . . . . 0.0 111.802 175.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG22 HD21 ' B' ' 10' ' ' LEU . 14.4 p -69.59 -42.74 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.486 ' HG2' HD23 ' B' ' 10' ' ' LEU . 35.0 mtm105 -58.82 -42.67 89.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.56 1.144 . . . . 0.0 111.583 171.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.37 -42.75 87.68 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.453 1.101 . . . . 0.0 112.842 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.42 99.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.752 0.706 . . . . 0.0 110.986 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -63.0 -42.36 99.83 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.4 p -77.73 -29.66 51.26 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -73.2 -24.77 60.56 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.485 0.714 . . . . 0.0 112.358 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.96 25.12 56.61 Favored Glycine 0 CA--C 1.536 1.374 0 O-C-N 121.38 -0.825 . . . . 0.0 112.666 -170.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.2 t -62.52 147.08 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.537 1.535 . . . . 0.0 110.516 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.8 m -60.44 99.26 0.08 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.6 1.16 . . . . 0.0 112.488 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -63.37 -24.76 67.99 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.4 1.08 . . . . 0.0 113.479 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -64.88 -36.83 85.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.839 1.256 . . . . 0.0 114.17 168.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -64.66 -32.13 73.66 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.982 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.29 -55.58 26.9 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.574 0.625 . . . . 0.0 110.534 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.87 -49.83 71.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.019 0.928 . . . . 0.0 113.162 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -62.05 -44.53 96.48 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 117.691 0.223 . . . . 0.0 111.555 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -68.24 -33.06 73.7 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.55 0.74 . . . . 0.0 112.33 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -57.77 10.72 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.038 0.935 . . . . 0.0 111.024 171.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -67.62 -34.4 76.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.7 0.4 . . . . 0.0 111.779 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -56.47 -53.2 60.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.083 0.953 . . . . 0.0 112.717 169.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -67.34 -37.38 83.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.22 0.918 . . . . 0.0 112.67 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -55.93 -48.54 75.53 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.318 1.417 . . . . 0.0 110.643 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -78.41 -0.42 29.14 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.5 -45.54 4.82 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.232 1.413 . . . . 0.0 112.533 168.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -82.47 -47.13 12.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.66 2.384 . . . . 0.0 113.44 -176.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.1 t -99.91 -41.93 7.0 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.118 0.967 . . . . 0.0 112.323 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.56 37.97 28.96 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.017 1.327 . . . . 0.0 112.965 -175.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -63.43 163.38 10.94 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.734 1.613 . . . . 0.0 112.604 168.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -142.62 158.31 43.79 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.413 1.485 . . . . 0.0 111.387 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.709 1.604 . . . . 0.0 112.586 178.803 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t 62.51 -59.72 0.13 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.011 2.524 . . . . 0.0 115.961 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 2.6 m80 54.66 20.32 2.89 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.715 2.006 . . . . 0.0 114.833 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.7 mtm 56.46 27.2 11.81 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.117 1.767 . . . . 0.0 114.238 -170.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -56.5 110.32 0.76 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.512 1.125 . . . . 0.0 111.318 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.418 ' HE2' HD22 ' B' ' 10' ' ' LEU 0.275 57.8 m-85 59.13 -4.23 0.08 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 117.755 2.502 . . . . 0.0 117.755 -172.149 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -82.55 9.87 8.48 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.46 1.504 . . . . 0.0 112.581 162.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.02 -39.62 0.46 Allowed Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.499 1.047 . . . . 0.0 113.588 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -76.4 146.56 38.6 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 117.803 0.802 . . . . 0.0 111.689 173.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.3 tm? -136.65 145.94 45.41 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.899 1.679 . . . . 0.0 110.778 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.404 ' O ' HD13 ' B' ' 10' ' ' LEU . 9.6 t0 -66.7 140.35 57.88 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.493 0.664 . . . . 0.0 112.141 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 90.3 p -59.79 -26.3 65.63 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 120.706 -1.246 . . . . 0.0 114.162 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -68.78 -29.92 68.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.364 1.866 . . . . 0.0 114.023 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.635 ' HB2' HD11 ' B' ' 10' ' ' LEU . 1.8 m95 -97.49 -30.58 12.81 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.183 0.901 . . . . 0.0 111.778 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -53.65 -50.16 66.36 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.687 1.595 . . . . 0.0 109.89 172.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -31.67 72.99 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' B' ' 14' ' ' TRP . 70.9 mt -69.77 -47.81 61.6 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.23 . . . . 0.0 112.019 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.62 HG22 HD21 ' A' ' 10' ' ' LEU . 11.6 p -65.61 -41.87 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.673 -0.642 . . . . 0.0 112.14 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -63.53 -41.84 98.45 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.684 -0.635 . . . . 0.0 110.083 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.57 -42.81 83.84 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.659 1.184 . . . . 0.0 112.289 171.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.47 96.02 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.262 0.937 . . . . 0.0 111.23 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -62.75 -42.49 99.7 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 77.1 p -86.93 -28.77 22.56 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -88.34 8.39 27.8 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.75 22.48 72.08 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.567 1.08 . . . . 0.0 114.958 173.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 43.0 t -73.06 148.47 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.97 1.308 . . . . 0.0 111.706 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m -58.92 104.13 0.21 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.866 1.266 . . . . 0.0 112.998 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -58.95 -33.26 70.41 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.023 1.329 . . . . 0.0 113.127 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.41 -34.75 77.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.244 1.418 . . . . 0.0 114.151 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -65.9 -31.17 71.96 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.907 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.37 -54.62 41.39 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.23 0.612 . . . . 0.0 110.947 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -64.95 -49.8 68.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.766 0.826 . . . . 0.0 112.917 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -66.11 -37.61 86.15 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -70.03 -33.92 72.6 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.013 0.824 . . . . 0.0 111.692 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -54.15 49.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.4 0.68 . . . . 0.0 110.445 169.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -61.41 -41.98 98.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.347 0.659 . . . . 0.0 111.865 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -56.51 19.27 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.609 0.764 . . . . 0.0 111.71 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -65.41 -37.45 87.0 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.448 1.022 . . . . 0.0 112.42 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -55.17 -49.7 71.18 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.052 1.296 . . . . 0.0 110.326 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -80.44 -4.04 52.18 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -46.75 5.19 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.081 1.31 . . . . 0.0 112.59 166.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -77.19 -48.33 17.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.739 2.016 . . . . 0.0 113.106 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -98.64 -30.52 12.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.964 0.906 . . . . 0.0 112.267 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.25 53.64 7.53 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.64 1.576 . . . . 0.0 111.849 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -65.66 -27.34 68.3 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -164.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 47.07 38.19 6.19 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.029 1.732 . . . . 0.0 114.836 174.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 . . . . . 0 C--O 1.254 1.333 0 C-N-CA 125.905 1.682 . . . . 0.0 114.505 -174.231 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -153.14 163.66 39.46 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.305 1.442 . . . . 0.0 111.602 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -65.18 136.25 56.43 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.608 1.163 . . . . 0.0 112.588 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -81.07 154.44 26.82 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.902 1.681 . . . . 0.0 113.261 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -85.3 3.1 41.22 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.64 1.576 . . . . 0.0 114.382 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -152.57 150.57 29.68 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.125 0.97 . . . . 0.0 112.775 -166.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -136.57 27.48 3.06 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.201 1.4 . . . . 0.0 113.188 -170.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.2 22.87 77.15 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 121.049 -1.032 . . . . 0.0 113.716 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.28 120.66 8.44 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.492 1.917 . . . . 0.0 109.748 -169.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' LEU . . . . . 0.748 HD21 HG22 ' D' ' 18' ' ' VAL . 0.7 OUTLIER -70.71 127.38 32.47 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.969 0.89 . . . . 0.0 109.997 172.105 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -85.0 20.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -153.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.6 t 64.2 -35.77 0.17 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 130.039 3.336 . . . . 0.0 115.119 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.64 -26.02 67.62 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.503 1.921 . . . . 0.0 112.506 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.8 m95 -97.15 -32.02 12.16 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.371 1.068 . . . . 0.0 112.326 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.88 -47.47 80.39 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.156 1.783 . . . . 0.0 110.182 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -33.06 74.66 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.09 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' C' ' 14' ' ' TRP . 52.6 mt -70.5 -49.81 44.48 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.946 1.298 . . . . 0.0 112.384 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.48 -42.45 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.527 -0.733 . . . . 0.0 111.839 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -62.41 -42.68 99.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.516 1.126 . . . . 0.0 112.546 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -58.23 -41.04 83.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.062 1.345 . . . . 0.0 113.357 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.22 81.78 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.577 -0.702 . . . . 0.0 111.171 174.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 6.2 mmm -58.39 -40.53 82.61 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 73.6 p -78.98 -31.7 44.99 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.7 t -81.72 5.45 18.42 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.34 20.65 79.57 Favored Glycine 0 CA--C 1.536 1.38 0 O-C-N 121.358 -0.839 . . . . 0.0 114.379 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' VAL . . . . . 0.498 HG13 ' CB ' ' D' ' 38' ' ' GLN . 25.2 t -65.01 144.93 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.983 1.313 . . . . 0.0 110.741 175.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 70.5 m -59.12 111.19 1.24 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.016 0.927 . . . . 0.0 112.186 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -61.55 -29.21 69.86 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -174.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -69.8 -34.36 73.61 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.84 0.856 . . . . 0.0 112.889 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -63.38 -30.6 71.7 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 117.775 -1.107 . . . . 0.0 111.782 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -59.19 -45.21 91.67 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.859 1.209 . . . . 0.0 111.859 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -64.53 -47.14 79.95 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.795 0.725 . . . . 0.0 112.472 171.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -65.09 -39.43 93.17 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.38 -40.34 93.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.481 1.513 . . . . 0.0 111.52 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -53.82 51.72 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 117.944 0.338 . . . . 0.0 110.739 171.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -62.06 -42.01 98.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.438 0.695 . . . . 0.0 112.248 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.46 -46.58 83.48 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.058 1.743 . . . . 0.0 112.918 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -74.52 -40.33 61.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.366 0.985 . . . . 0.0 112.578 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -54.32 -34.24 60.59 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.429 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -17.41 7.66 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 128.793 2.837 . . . . 0.0 115.283 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -132.14 -37.57 1.12 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.169 1.388 . . . . 0.0 113.156 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -70.41 -25.04 63.05 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.78 1.232 . . . . 0.0 113.213 175.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 43.6 t -132.77 -20.73 2.23 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.897 1.279 . . . . 0.0 113.468 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.294 0.0 OUTLIER 66.47 30.61 8.57 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.663 1.985 . . . . 0.0 114.055 -178.493 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -63.89 135.59 56.67 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.529 0.732 . . . . 0.0 109.936 159.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -155.03 156.69 36.39 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.762 0.825 . . . . 0.0 112.874 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.918 1.687 . . . . 0.0 113.722 -173.78 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 112.194 -0.362 . . . . 0.0 112.194 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m 57.76 32.25 21.62 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.588 1.555 . . . . 0.0 114.876 176.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.7 157.81 37.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.569 1.148 . . . . 0.0 112.866 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -74.33 -14.35 60.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.959 1.304 . . . . 0.0 114.196 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -68.42 139.12 55.77 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.394 1.077 . . . . 0.0 112.593 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -99.78 162.36 13.05 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.309 1.444 . . . . 0.0 111.672 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -127.25 13.83 7.18 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.948 1.699 . . . . 0.0 113.162 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.62 -30.39 6.69 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 126.396 1.951 . . . . 0.0 113.236 -172.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -73.12 121.36 20.11 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.736 1.268 . . . . 0.0 111.378 173.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' D' ' 14' ' ' TRP . 3.1 tm? -86.95 144.43 26.94 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.71 1.204 . . . . 0.0 110.858 172.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.456 ' O ' HD13 ' D' ' 10' ' ' LEU . 7.0 t0 -67.39 132.02 46.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.725 0.81 . . . . 0.0 112.007 178.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -57.89 -25.98 61.52 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.607 -1.308 . . . . 0.0 113.717 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.16 -23.27 67.26 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.112 1.765 . . . . 0.0 115.241 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' TRP . . . . . 0.642 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.1 m95 -104.79 -31.65 9.22 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.383 1.073 . . . . 0.0 112.504 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.47 -44.73 72.83 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.007 1.323 . . . . 0.0 110.691 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -36.62 82.65 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.858 -0.591 . . . . 0.0 112.403 177.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.54 -48.42 69.75 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.763 1.225 . . . . 0.0 111.856 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.748 HG22 HD21 ' C' ' 10' ' ' LEU . 7.5 p -65.33 -41.47 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.591 ' HG2' HD23 ' C' ' 10' ' ' LEU . 69.7 mtm180 -62.78 -41.49 99.27 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.499 -0.75 . . . . 0.0 110.839 176.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.09 -39.06 77.62 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.399 1.08 . . . . 0.0 112.976 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.51 80.71 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.289 -0.882 . . . . 0.0 111.518 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.8 mmm -60.88 -38.9 87.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.42 0.288 . . . . 0.0 111.746 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 76.9 p -82.51 -33.39 28.3 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -84.62 8.26 17.44 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.44 21.22 78.67 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.301 0.953 . . . . 0.0 114.438 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.59 145.36 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.238 1.415 . . . . 0.0 111.082 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 49.8 m -58.14 109.1 0.69 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.28 1.032 . . . . 0.0 112.366 -174.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -63.73 -27.31 69.11 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -174.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -70.49 -37.0 74.14 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -64.43 -25.66 68.11 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-O 118.751 -0.643 . . . . 0.0 112.632 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' PHE . . . . . 0.451 ' HB3' HD13 ' C' ' 17' ' ' LEU . 0.5 OUTLIER -52.26 -56.68 13.17 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.058 0.845 . . . . 0.0 110.455 170.457 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -64.62 -47.9 76.89 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.229 1.011 . . . . 0.0 112.821 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -64.73 -37.43 87.56 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -71.06 -36.09 72.15 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.136 -0.978 . . . . 0.0 112.052 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.16 -51.62 63.73 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.847 -0.533 . . . . 0.0 110.487 170.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.3 -38.1 89.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.181 0.992 . . . . 0.0 112.172 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -58.06 -48.42 80.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.725 1.21 . . . . 0.0 112.803 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLN . . . . . 0.498 ' CB ' HG13 ' C' ' 26' ' ' VAL . 89.0 mm-40 -70.8 -41.14 72.01 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.367 -0.833 . . . . 0.0 112.284 175.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -54.77 -38.44 67.23 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.432 1.014 . . . . 0.0 111.115 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -54.48 -26.04 28.99 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 128.092 2.557 . . . . 0.0 114.55 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -121.01 -40.36 2.62 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.544 1.138 . . . . 0.0 113.433 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -72.85 -23.44 60.75 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.176 1.39 . . . . 0.0 113.008 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -130.4 -27.74 2.16 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.538 1.135 . . . . 0.0 113.299 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.79 26.0 15.84 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.279 1.832 . . . . 0.0 113.98 174.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -76.11 -30.98 58.45 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.034 1.334 . . . . 0.0 114.549 -174.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 54.55 25.9 6.73 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.308 1.843 . . . . 0.0 114.777 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.73 1.612 . . . . 0.0 113.916 -179.545 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.733 -0.547 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -68.99 154.82 41.41 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.092 0.957 . . . . 0.0 112.763 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.66 150.74 47.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.417 1.087 . . . . 0.0 113.028 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 tpp -139.08 131.7 28.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.187 1.395 . . . . 0.0 111.425 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -72.75 140.21 47.62 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -143.45 141.78 30.95 Favored 'General case' 0 N--CA 1.476 0.861 1 C-N-CA 132.013 4.125 . . . . 0.0 109.184 0.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -138.35 19.78 2.75 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.592 1.157 . . . . 0.0 114.07 -169.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.58 -31.24 8.45 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.907 1.718 . . . . 0.0 113.447 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.91 122.27 20.51 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.754 1.222 . . . . 0.0 111.042 173.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.654 HD21 HG22 ' B' ' 18' ' ' VAL . 1.7 tm? -73.79 128.02 34.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.082 0.468 . . . . 0.0 110.624 169.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -64.9 140.27 58.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.574 0.702 . . . . 0.0 111.749 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -59.44 -28.28 66.82 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 120.95 -1.094 . . . . 0.0 113.641 -173.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -64.44 -27.35 68.93 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.553 1.941 . . . . 0.0 114.184 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.539 ' HB2' HD11 ' A' ' 10' ' ' LEU . 1.9 m95 -101.3 -31.8 10.8 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.123 0.874 . . . . 0.0 112.776 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -53.79 -47.05 71.17 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.683 1.193 . . . . 0.0 109.71 170.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -33.33 75.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.644 -179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 14' ' ' TRP . 63.9 mt -69.04 -47.82 64.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.678 1.191 . . . . 0.0 112.223 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.27 -41.78 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.76 -0.587 . . . . 0.0 111.913 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -64.73 -38.72 91.95 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.35 -0.844 . . . . 0.0 111.865 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.68 -39.89 86.03 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.839 1.256 . . . . 0.0 113.343 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.72 90.56 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 119.139 0.881 . . . . 0.0 110.604 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mmm -62.54 -41.93 99.21 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -79.1 -31.82 44.41 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -81.73 4.16 22.96 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.71 23.6 73.98 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 120.767 -1.208 . . . . 0.0 114.024 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.423 HG13 ' CB ' ' B' ' 38' ' ' GLN . 17.7 t -66.76 148.11 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.523 1.529 . . . . 0.0 110.665 177.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.8 m -61.52 102.13 0.22 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.707 0.803 . . . . 0.0 112.666 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -61.55 -28.72 69.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.866 1.266 . . . . 0.0 113.66 -176.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -64.99 -34.86 79.44 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.117 1.367 . . . . 0.0 114.063 171.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.57 -30.64 70.99 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.25 -54.21 43.15 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.77 0.428 . . . . 0.0 110.713 172.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -63.45 -49.37 73.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.926 0.89 . . . . 0.0 112.865 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.44 -40.3 95.47 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -69.88 -34.43 73.55 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.749 0.704 . . . . 0.0 112.128 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -55.91 27.96 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.584 0.753 . . . . 0.0 110.841 171.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -66.67 -37.64 85.2 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -53.44 -56.94 12.68 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.298 0.639 . . . . 0.0 111.758 169.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.72 -38.97 90.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.385 0.993 . . . . 0.0 112.162 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -56.36 -51.01 69.87 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.452 1.478 . . . . 0.0 110.838 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -76.74 -12.74 60.03 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -88.52 -48.0 7.91 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.968 1.307 . . . . 0.0 112.337 167.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -43.17 9.81 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.014 2.126 . . . . 0.0 113.312 -163.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -101.02 -26.01 13.86 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.567 1.147 . . . . 0.0 111.638 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.1 63.05 1.3 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.197 1.799 . . . . 0.0 111.144 169.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -62.09 -46.01 90.98 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.645 1.578 . . . . 0.0 114.424 -157.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 53.35 -166.69 0.07 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.704 1.602 . . . . 0.0 113.523 -170.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.186 1.794 . . . . 0.0 113.109 177.567 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -70.48 160.47 32.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.618 1.167 . . . . 0.0 113.078 176.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -150.62 158.56 44.3 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.357 1.463 . . . . 0.0 111.209 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 25.9 ptp -144.43 145.11 31.72 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.923 1.289 . . . . 0.0 111.336 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -94.5 165.42 12.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 113.132 -172.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -71.29 152.91 42.82 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.257 1.023 . . . . 0.0 112.233 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -137.81 14.14 2.91 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.737 1.615 . . . . 0.0 113.332 -172.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.08 -26.99 6.9 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.185 1.85 . . . . 0.0 112.84 -169.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -63.58 154.75 31.69 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.807 1.243 . . . . 0.0 111.977 169.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.0 tm? -135.65 137.43 41.85 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.768 1.627 . . . . 0.0 109.84 172.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -62.76 132.79 53.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.935 0.494 . . . . 0.0 111.763 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -58.5 -25.31 62.23 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.945 -1.097 . . . . 0.0 113.369 -173.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -61.28 -29.52 69.91 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.097 1.759 . . . . 0.0 114.778 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.657 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.5 m95 -99.21 -31.85 11.52 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.38 0.991 . . . . 0.0 112.147 178.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -53.8 -50.51 65.94 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.286 1.034 . . . . 0.0 109.492 170.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -31.97 72.65 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' B' ' 14' ' ' TRP . 60.6 mt -68.64 -48.03 65.08 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.078 1.351 . . . . 0.0 111.886 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.654 HG22 HD21 ' A' ' 10' ' ' LEU . 13.4 p -65.83 -42.88 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 177.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.55 ' HG2' HD23 ' A' ' 10' ' ' LEU . 8.3 mtm105 -61.6 -42.26 98.62 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.852 0.861 . . . . 0.0 110.304 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.26 -40.96 83.18 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.702 1.201 . . . . 0.0 113.378 171.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.57 94.86 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 119.015 0.825 . . . . 0.0 111.134 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.5 mmm -64.84 -42.6 94.78 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -78.09 -32.81 50.81 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 5.4 t -82.24 3.42 27.51 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.06 22.24 74.07 Favored Glycine 0 CA--C 1.537 1.432 0 O-C-N 120.868 -1.145 . . . . 0.0 114.387 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 37.1 t -64.03 147.01 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.33 1.452 . . . . 0.0 110.68 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m -55.7 107.93 0.39 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.421 1.088 . . . . 0.0 112.592 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -63.85 -34.13 77.24 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.865 0.866 . . . . 0.0 112.026 -173.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -63.27 -39.65 95.19 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.161 1.384 . . . . 0.0 113.908 174.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.58 -29.73 70.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.227 0.611 . . . . 0.0 112.383 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.93 -54.08 49.0 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.42 0.554 . . . . 0.0 110.982 173.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.88 -48.14 72.5 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.872 0.869 . . . . 0.0 112.673 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.14 -42.58 99.39 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -69.98 -33.05 71.57 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.564 -0.71 . . . . 0.0 112.215 176.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -52.66 64.17 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.479 0.581 . . . . 0.0 110.766 170.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -62.91 -40.89 98.96 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.249 0.477 . . . . 0.0 111.678 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -54.97 -54.59 40.83 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.562 -0.711 . . . . 0.0 112.186 173.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.423 ' CB ' HG13 ' A' ' 26' ' ' VAL . 88.3 mm-40 -66.39 -39.14 88.87 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 119.1 0.864 . . . . 0.0 112.401 177.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -56.29 -51.04 69.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.652 1.569 . . . . 0.0 110.744 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -81.18 -9.45 59.79 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -89.82 -48.4 7.27 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.267 1.394 . . . . 0.0 112.812 165.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -80.15 -51.62 8.76 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.122 2.169 . . . . 0.0 113.236 -173.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -93.09 -34.04 13.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.885 0.874 . . . . 0.0 112.14 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.14 44.93 18.36 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.072 1.349 . . . . 0.0 112.29 174.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -59.81 139.02 57.62 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.962 1.305 . . . . 0.0 112.617 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -87.31 -3.71 59.04 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.471 1.909 . . . . 0.0 114.129 -177.623 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -63.91 146.68 53.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.613 1.165 . . . . 0.0 113.101 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 155.94 39.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.92 0.888 . . . . 0.0 113.147 176.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -71.37 -2.32 16.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.489 1.515 . . . . 0.0 114.487 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -71.35 -1.82 14.25 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -144.29 147.29 33.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.808 1.243 . . . . 0.0 111.935 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -152.18 51.86 0.79 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.681 1.192 . . . . 0.0 111.942 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.33 -41.3 1.58 Allowed Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.953 1.74 . . . . 0.0 114.307 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 124.22 22.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.89 2.076 . . . . 0.0 112.211 175.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' LEU . . . . . 0.668 HD21 HG22 ' D' ' 18' ' ' VAL . 1.5 tm? -73.01 127.48 32.67 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.497 0.665 . . . . 0.0 110.93 169.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.423 ' HB3' ' CD1' ' C' ' 14' ' ' TRP . 10.1 t0 -65.41 140.78 58.66 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.011 0.925 . . . . 0.0 111.836 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.0 p -58.76 -28.4 65.88 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.798 -1.189 . . . . 0.0 113.474 -176.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.16 -26.81 68.69 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.659 1.983 . . . . 0.0 114.532 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.519 ' HB2' HD11 ' C' ' 10' ' ' LEU . 2.1 m95 -101.84 -31.9 10.51 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.958 0.799 . . . . 0.0 112.662 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -54.24 -47.49 72.16 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 125.637 1.575 . . . . 0.0 110.7 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -35.18 80.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.407 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' C' ' 14' ' ' TRP . 80.1 mt -67.04 -47.95 69.81 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.607 1.163 . . . . 0.0 112.016 176.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -66.27 -40.0 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.845 -0.534 . . . . 0.0 111.943 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -62.98 -39.65 95.34 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.318 -0.864 . . . . 0.0 112.392 170.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -38.23 75.74 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.26 1.024 . . . . 0.0 112.495 172.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.37 -43.74 66.32 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.139 -0.976 . . . . 0.0 111.589 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 2.0 mmm -60.97 -34.94 75.54 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 46.5 p -87.58 -34.81 18.41 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -85.46 8.53 18.72 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.18 17.28 80.25 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.547 1.07 . . . . 0.0 114.986 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' D' ' 38' ' ' GLN . 24.3 t -64.55 145.34 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.479 1.512 . . . . 0.0 111.347 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 52.8 m -56.9 115.65 2.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.989 0.916 . . . . 0.0 111.835 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -65.86 -29.89 70.41 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -172.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -68.62 -35.01 76.73 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.097 0.959 . . . . 0.0 112.985 172.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -60.69 -26.24 66.98 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.481 0.712 . . . . 0.0 112.635 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' PHE . . . . . 0.428 ' HB3' HD13 ' D' ' 17' ' ' LEU . 1.5 m-85 -53.44 -63.24 1.21 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.651 0.659 . . . . 0.0 111.532 166.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -62.37 -45.26 93.96 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.832 0.853 . . . . 0.0 112.858 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -64.12 -40.0 95.24 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -71.92 -37.07 70.12 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.355 0.979 . . . . 0.0 112.038 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -52.36 63.24 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.781 0.832 . . . . 0.0 110.301 173.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -64.65 -41.6 96.01 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.551 0.74 . . . . 0.0 111.878 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -54.28 -45.82 72.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.245 1.018 . . . . 0.0 112.281 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLN . . . . . 0.4 ' CB ' HG13 ' D' ' 26' ' ' VAL . 92.3 mm-40 -72.66 -44.14 62.24 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.343 -0.848 . . . . 0.0 112.537 173.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -55.44 -35.41 65.41 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.944 1.247 . . . . 0.0 112.302 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -54.18 -28.6 41.65 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 128.658 2.783 . . . . 0.0 113.451 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -116.21 -41.89 3.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.336 1.854 . . . . 0.0 113.965 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -71.44 -26.25 62.65 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.157 1.383 . . . . 0.0 112.994 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 46.6 t -121.63 -35.2 3.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.035 1.334 . . . . 0.0 112.595 172.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.1 23.65 13.98 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.327 1.451 . . . . 0.0 113.843 -177.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -64.7 134.59 54.54 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.118 -0.989 . . . . 0.0 110.505 164.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -82.59 -13.9 55.74 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 127.767 2.427 . . . . 0.0 110.907 175.687 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m -64.67 149.85 48.26 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.694 1.198 . . . . 0.0 113.25 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.34 -30.87 71.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.298 1.039 . . . . 0.0 113.435 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 31.5 tpp -145.79 157.22 43.94 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.826 1.25 . . . . 0.0 111.982 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -68.23 -21.37 64.84 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -132.48 155.37 48.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.049 2.139 . . . . 0.0 111.693 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -108.65 13.56 25.08 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.841 2.056 . . . . 0.0 113.494 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.58 -8.79 26.15 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.779 1.656 . . . . 0.0 114.623 -173.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -73.01 156.32 38.93 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.754 1.222 . . . . 0.0 111.663 166.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? -135.71 136.91 41.23 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.458 1.503 . . . . 0.0 110.134 170.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.411 ' O ' HD13 ' D' ' 10' ' ' LEU . 7.9 t0 -63.21 132.2 50.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.154 0.582 . . . . 0.0 111.815 177.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -57.8 -26.45 61.98 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.873 -1.142 . . . . 0.0 113.314 -174.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -61.25 -30.03 70.2 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.263 1.825 . . . . 0.0 114.798 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' TRP . . . . . 0.624 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.9 m95 -96.93 -32.15 12.19 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.438 1.017 . . . . 0.0 112.249 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.05 -50.51 66.54 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.272 1.029 . . . . 0.0 109.52 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -32.53 73.32 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.759 -0.588 . . . . 0.0 112.477 -176.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' D' ' 14' ' ' TRP . 45.7 mt -68.54 -47.34 67.15 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.881 1.272 . . . . 0.0 112.521 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.668 HG22 HD21 ' C' ' 10' ' ' LEU . 11.5 p -64.43 -42.6 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.408 -0.807 . . . . 0.0 112.223 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.599 ' HG2' HD23 ' C' ' 10' ' ' LEU . 8.9 mtm105 -61.85 -43.97 97.78 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.935 0.894 . . . . 0.0 110.68 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -58.28 -41.64 84.78 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.127 1.371 . . . . 0.0 113.523 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.5 92.26 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.551 -0.718 . . . . 0.0 111.448 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 2.3 mmm -60.19 -39.37 86.29 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 73.5 p -80.84 -32.66 35.04 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -81.25 5.88 15.79 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.74 23.45 77.88 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 123.993 0.806 . . . . 0.0 114.17 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' VAL . . . . . 0.4 HG13 ' CB ' ' C' ' 38' ' ' GLN . 38.9 t -66.34 148.63 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.335 1.454 . . . . 0.0 111.113 177.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 55.1 m -56.58 112.01 1.16 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.063 0.945 . . . . 0.0 111.98 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.5 -28.19 68.37 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.357 0.663 . . . . 0.0 112.52 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -70.44 -38.04 74.45 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.165 0.986 . . . . 0.0 112.73 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -62.62 -29.3 70.51 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.456 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -57.82 -48.82 78.65 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.517 1.053 . . . . 0.0 111.632 172.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ARG . . . . . 0.407 ' HA ' HD22 ' C' ' 17' ' ' LEU . 12.5 tpt180 -63.79 -48.26 77.62 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.435 0.694 . . . . 0.0 112.358 172.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.82 -42.96 97.53 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -33.37 68.86 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.116 0.966 . . . . 0.0 111.858 176.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.69 -52.36 56.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.313 0.96 . . . . 0.0 110.488 168.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -69.66 -35.86 75.55 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.588 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -38.1 89.34 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.31 1.414 . . . . 0.0 113.272 174.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLN . . . . . 0.468 ' CB ' HG13 ' C' ' 26' ' ' VAL . 88.8 mm-40 -72.71 -41.18 65.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 119.404 1.002 . . . . 0.0 112.5 170.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -55.46 -41.61 73.17 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.893 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -55.39 -19.09 8.05 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 129.208 3.003 . . . . 0.0 114.58 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -118.36 -44.57 2.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.257 1.823 . . . . 0.0 113.48 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -78.46 -25.09 45.75 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.429 1.492 . . . . 0.0 113.211 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 28.1 t -133.28 -20.52 2.11 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.931 1.292 . . . . 0.0 113.237 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.301 0.0 OUTLIER 65.97 25.82 11.0 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.088 2.155 . . . . 0.0 113.843 -179.501 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -71.18 151.05 44.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.088 1.355 . . . . 0.0 111.138 160.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -78.06 -31.8 50.46 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 168.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 128.091 2.556 . . . . 0.0 112.465 173.908 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 t -71.5 157.43 38.03 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.067 0.947 . . . . 0.0 112.867 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -68.09 154.46 41.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.807 1.243 . . . . 0.0 113.06 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -68.1 144.29 55.11 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.658 1.183 . . . . 0.0 112.929 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.24 -13.53 59.14 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.747 1.219 . . . . 0.0 113.929 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -160.22 152.73 20.93 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.268 1.827 . . . . 0.0 110.762 -164.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -146.89 53.37 1.09 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.035 0.934 . . . . 0.0 112.417 -174.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.79 19.66 71.6 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.233 0.92 . . . . 0.0 114.893 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -148.92 127.12 12.09 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.543 1.537 . . . . 0.0 110.997 -170.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.707 HD21 HG22 ' B' ' 18' ' ' VAL . 1.1 tm? -72.43 126.18 29.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.382 0.611 . . . . 0.0 110.446 172.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.83 133.44 50.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.781 0.832 . . . . 0.0 110.552 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -59.45 -23.93 63.12 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.967 -1.083 . . . . 0.0 113.399 -172.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.6 -26.01 67.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.716 2.006 . . . . 0.0 114.561 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.529 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.4 m95 -102.2 -32.05 10.27 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.022 0.929 . . . . 0.0 112.895 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -54.05 -46.62 71.99 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.902 1.281 . . . . 0.0 109.978 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -34.08 77.55 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.515 -0.755 . . . . 0.0 112.627 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 14' ' ' TRP . 73.4 mt -67.35 -49.31 64.54 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.198 0.999 . . . . 0.0 111.827 176.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -67.69 -39.0 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.727 -0.608 . . . . 0.0 112.35 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -67.92 -33.99 75.76 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.11 0.964 . . . . 0.0 112.58 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.29 -39.78 94.12 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.531 1.132 . . . . 0.0 112.794 166.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HB2' HD21 ' B' ' 35' ' ' LEU . . . -68.06 -41.89 81.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.411 1.005 . . . . 0.0 111.228 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 mmt -56.54 -52.48 64.61 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.941 0.897 . . . . 0.0 111.42 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.7 p -73.21 -31.55 64.23 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -81.5 -3.85 54.27 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.56 27.06 73.56 Favored Glycine 0 CA--C 1.539 1.589 0 O-C-N 120.665 -1.272 . . . . 0.0 113.779 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.422 HG13 ' CB ' ' B' ' 38' ' ' GLN . 7.1 t -64.29 149.73 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.995 1.718 . . . . 0.0 110.977 176.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 m -60.95 98.47 0.07 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.434 1.094 . . . . 0.0 112.577 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -61.18 -29.98 70.13 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.775 1.23 . . . . 0.0 113.03 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -64.29 -37.73 88.53 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.919 1.288 . . . . 0.0 114.022 171.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -63.68 -34.09 77.08 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.042 0.383 . . . . 0.0 111.142 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -54.37 46.65 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.63 0.772 . . . . 0.0 111.575 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -64.51 -48.34 75.49 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -61.81 -47.28 85.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 119.156 -0.45 . . . . 0.0 111.623 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -27.19 62.32 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.433 1.015 . . . . 0.0 113.56 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -57.3 9.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.649 1.113 . . . . 0.0 109.702 168.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -73.94 -33.99 64.14 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.922 0.889 . . . . 0.0 111.983 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -45.88 92.97 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.152 -0.967 . . . . 0.0 112.958 169.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -66.59 -37.62 85.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.224 1.375 . . . . 0.0 112.158 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -55.82 -46.49 78.08 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.711 1.141 . . . . 0.0 110.393 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -80.65 4.37 18.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.495 1.918 . . . . 0.0 115.552 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -46.16 4.03 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.084 1.754 . . . . 0.0 111.981 164.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -78.27 -53.97 6.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.295 2.238 . . . . 0.0 113.286 -176.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.4 t -93.14 -30.85 15.04 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.508 1.123 . . . . 0.0 112.099 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.47 37.93 19.49 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.164 1.386 . . . . 0.0 112.595 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -75.42 47.13 0.37 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.877 2.071 . . . . 0.0 114.931 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -153.18 142.48 21.56 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.58 1.552 . . . . 0.0 111.353 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.037 1.735 . . . . 0.0 114.094 -177.149 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -70.97 -18.53 62.62 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 m80 55.53 18.97 2.95 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.866 1.666 . . . . 0.0 114.22 -172.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? 54.0 33.0 16.53 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.934 1.693 . . . . 0.0 113.935 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -63.81 147.5 51.64 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.413 1.085 . . . . 0.0 113.389 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -147.24 150.81 35.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.446 1.898 . . . . 0.0 111.16 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -132.02 11.98 4.7 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.737 1.615 . . . . 0.0 113.58 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.16 -41.8 0.45 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.758 1.17 . . . . 0.0 114.489 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -67.2 153.04 44.63 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.679 1.192 . . . . 0.0 112.514 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' B' ' 14' ' ' TRP . 2.8 tm? -140.01 137.59 34.77 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.9 1.68 . . . . 0.0 110.786 175.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.23 137.22 58.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.911 0.884 . . . . 0.0 112.043 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.6 p -57.82 -28.42 64.05 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.152 -0.968 . . . . 0.0 113.379 -176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.64 -22.96 66.7 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.093 1.757 . . . . 0.0 115.296 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.615 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.6 m95 -106.68 -32.04 8.18 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.396 1.079 . . . . 0.0 112.471 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -53.63 -46.06 70.36 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.536 1.535 . . . . 0.0 110.182 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -38.82 89.22 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.991 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' B' ' 14' ' ' TRP . 62.9 mt -65.72 -47.85 73.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.606 1.162 . . . . 0.0 112.101 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.707 HG22 HD21 ' A' ' 10' ' ' LEU . 10.1 p -65.96 -43.39 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 120.341 -0.544 . . . . 0.0 112.32 178.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.655 ' HG2' HD23 ' A' ' 10' ' ' LEU . 76.3 mtm180 -63.64 -41.37 98.25 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.425 -0.797 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -59.19 -44.54 92.2 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.413 1.485 . . . . 0.0 113.012 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.85 98.84 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.749 -0.594 . . . . 0.0 111.443 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mmm -63.59 -47.0 83.25 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -73.3 -31.32 63.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -89.07 6.85 37.9 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.75 26.6 64.64 Favored Glycine 0 CA--C 1.537 1.46 0 N-CA-C 115.397 0.919 . . . . 0.0 115.397 171.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.9 t -69.52 150.46 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.963 1.305 . . . . 0.0 112.153 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.8 m -57.81 104.36 0.18 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.713 1.205 . . . . 0.0 112.921 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -62.75 -36.41 82.96 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.055 0.942 . . . . 0.0 112.078 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -63.14 -37.41 87.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.225 1.41 . . . . 0.0 113.812 174.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -69.02 -31.62 70.56 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -51.71 61.24 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.934 0.893 . . . . 0.0 110.512 171.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.16 -52.47 58.89 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.474 1.11 . . . . 0.0 113.531 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.54 -38.15 90.03 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.24 0.473 . . . . 0.0 112.179 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -70.71 -33.51 70.94 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.642 0.655 . . . . 0.0 112.083 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -57.14 -54.05 51.2 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.776 0.716 . . . . 0.0 111.366 170.185 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -67.54 -35.05 78.33 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -55.46 -54.14 47.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.072 0.949 . . . . 0.0 112.114 170.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.422 ' CB ' HG13 ' A' ' 26' ' ' VAL . 97.9 mm-40 -66.83 -37.52 84.66 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 118.391 -0.814 . . . . 0.0 112.192 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -55.96 -53.87 51.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.25 1.386 . . . . 0.0 110.787 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -76.7 -1.0 25.66 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -48.01 3.88 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.042 1.337 . . . . 0.0 112.592 167.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -77.86 -51.65 10.13 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.114 2.166 . . . . 0.0 113.276 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.7 t -87.03 -33.51 19.53 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.776 0.83 . . . . 0.0 111.177 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.9 35.2 26.02 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.96 1.304 . . . . 0.0 111.964 177.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -11.43 52.01 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.651 1.98 . . . . 0.0 115.814 -168.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 66.2 -52.06 0.41 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.619 2.767 . . . . 0.0 116.225 172.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 126.56 1.944 . . . . 0.0 112.397 -176.565 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -152.99 162.39 41.38 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.363 1.465 . . . . 0.0 112.005 -178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -69.28 155.03 41.09 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.954 0.902 . . . . 0.0 112.635 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 73.1 mtm -67.32 156.05 37.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.96 1.304 . . . . 0.0 113.02 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -68.64 -30.82 69.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.469 0.708 . . . . 0.0 112.874 174.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.41 ' HE2' HD22 ' C' ' 10' ' ' LEU . 2.3 m-85 -85.96 126.52 34.18 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.681 1.592 . . . . 0.0 111.033 171.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -141.67 11.51 2.07 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.525 1.53 . . . . 0.0 113.754 -173.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.92 -30.5 1.91 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.804 1.669 . . . . 0.0 113.091 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -58.54 154.24 14.54 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.391 1.476 . . . . 0.0 112.595 170.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' C' ' 14' ' ' TRP . 2.0 tm? -143.66 131.67 21.68 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.066 1.346 . . . . 0.0 110.446 165.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.68 136.67 58.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.999 0.919 . . . . 0.0 111.56 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -57.02 -30.85 64.55 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.9 -19.74 65.78 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.513 1.925 . . . . 0.0 115.361 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.577 ' HB2' HD11 ' C' ' 10' ' ' LEU . 1.8 m95 -104.31 -32.28 9.15 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.916 0.886 . . . . 0.0 113.089 174.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -53.97 -46.82 71.76 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.692 1.197 . . . . 0.0 110.228 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -36.5 80.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.281 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' C' ' 14' ' ' TRP . 86.1 mt -69.35 -48.16 62.19 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.647 1.179 . . . . 0.0 112.137 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.32 -40.72 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.823 -0.548 . . . . 0.0 111.972 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -63.58 -40.41 96.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.861 0.864 . . . . 0.0 111.696 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.17 -38.78 80.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.785 1.234 . . . . 0.0 113.56 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.8 82.57 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.438 1.017 . . . . 0.0 110.517 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 4.9 mmm -61.6 -41.67 97.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 119.364 -0.35 . . . . 0.0 111.925 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 81.2 p -79.81 -31.16 40.69 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -80.16 2.18 25.21 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 20.87 74.75 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 120.819 -1.176 . . . . 0.0 113.872 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' VAL . . . . . 0.501 HG13 ' CB ' ' D' ' 38' ' ' GLN . 32.2 t -63.61 142.02 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.256 1.423 . . . . 0.0 109.967 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -58.02 112.33 1.47 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.833 0.853 . . . . 0.0 112.203 -171.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -65.11 -27.21 68.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -172.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.27 -38.17 84.66 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -60.48 -29.09 68.84 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.999 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -53.88 51.82 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 119.473 1.033 . . . . 0.0 111.686 175.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -65.28 -46.62 79.72 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.261 0.624 . . . . 0.0 112.535 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -66.64 -38.69 87.43 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -32.42 65.48 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.733 -1.229 . . . . 0.0 112.255 171.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.8 -50.59 65.78 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.244 0.929 . . . . 0.0 109.924 166.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -58.68 -46.82 86.41 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.821 175.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -36.6 84.41 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.133 1.333 . . . . 0.0 114.515 -178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLN . . . . . 0.432 ' CB ' HG13 ' D' ' 26' ' ' VAL . 95.8 mm-40 -72.89 -44.04 61.76 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.522 1.055 . . . . 0.0 112.053 170.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -54.45 -39.42 67.41 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.614 0.766 . . . . 0.0 110.868 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.1 -23.36 13.65 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 129.412 3.085 . . . . 0.0 114.588 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -125.6 -37.24 2.35 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.715 1.606 . . . . 0.0 113.53 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -72.72 -25.5 61.24 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.824 1.25 . . . . 0.0 113.344 175.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -138.57 -18.53 1.09 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.25 0.0 OUTLIER 64.86 22.8 12.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.7 1.6 . . . . 0.0 114.224 175.453 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -69.91 147.58 50.07 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.438 -0.789 . . . . 0.0 109.753 151.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -155.39 153.58 30.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.043 0.937 . . . . 0.0 111.941 -171.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 125.78 1.632 . . . . 0.0 111.833 -177.177 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 111.754 -0.539 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -155.2 151.36 28.07 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.963 1.305 . . . . 0.0 111.873 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -75.46 -6.26 49.21 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.253 1.021 . . . . 0.0 113.52 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 9.8 tpp 69.0 155.8 0.13 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.92 2.488 . . . . 0.0 115.65 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -110.13 -117.78 0.29 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.591 1.556 . . . . 0.0 110.553 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -66.34 152.86 44.13 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.335 1.054 . . . . 0.0 111.896 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -136.14 15.89 3.25 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.679 1.592 . . . . 0.0 113.219 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.29 -27.77 7.54 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.223 1.868 . . . . 0.0 113.003 -171.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -68.02 152.51 45.4 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.391 1.095 . . . . 0.0 111.935 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? -128.56 143.27 50.93 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.767 1.627 . . . . 0.0 111.019 172.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 8.3 t0 -64.27 135.57 56.35 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.81 -0.556 . . . . 0.0 112.137 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -56.55 -30.21 62.85 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.033 -1.042 . . . . 0.0 112.69 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -61.27 -30.65 70.6 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' TRP . . . . . 0.654 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.0 m95 -98.81 -31.67 11.75 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.707 1.14 . . . . 0.0 112.136 178.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -52.93 -47.68 67.85 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.665 1.586 . . . . 0.0 109.756 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -67.55 -29.97 69.49 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.343 -0.836 . . . . 0.0 113.182 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' D' ' 14' ' ' TRP . 60.0 mt -71.01 -48.13 54.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.02 1.328 . . . . 0.0 112.363 175.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.518 HG22 HD21 ' C' ' 10' ' ' LEU . 10.4 p -66.27 -37.82 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 O-C-N 121.471 -0.768 . . . . 0.0 112.205 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -67.13 -37.44 83.85 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.283 -0.886 . . . . 0.0 111.824 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -39.23 77.11 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.561 1.144 . . . . 0.0 112.612 167.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -43.0 81.3 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.198 -0.939 . . . . 0.0 111.684 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 15.9 mmt -60.35 -37.02 79.38 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -82.23 -36.37 27.27 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.53 7.99 26.99 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -173.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.7 20.54 78.11 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.549 1.071 . . . . 0.0 114.833 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' VAL . . . . . 0.432 HG13 ' CB ' ' C' ' 38' ' ' GLN . 24.3 t -67.12 147.04 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.444 1.497 . . . . 0.0 111.757 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 50.5 m -60.01 108.83 0.83 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.255 1.022 . . . . 0.0 111.915 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -65.23 -27.78 68.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -67.72 -40.76 84.21 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 170.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.66 -27.57 69.32 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -56.23 16.64 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.794 0.724 . . . . 0.0 111.278 169.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -64.72 -47.44 78.27 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.94 0.896 . . . . 0.0 112.646 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -64.02 -38.47 91.21 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -72.63 -34.16 67.14 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.192 0.905 . . . . 0.0 111.914 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -52.54 62.73 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.777 -0.577 . . . . 0.0 111.002 166.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -59.71 -41.33 90.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.732 -0.652 . . . . 0.0 111.512 175.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.24 -49.26 77.73 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.672 1.189 . . . . 0.0 113.072 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLN . . . . . 0.501 ' CB ' HG13 ' C' ' 26' ' ' VAL . 88.2 mm-40 -71.3 -42.04 69.17 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.629 -0.669 . . . . 0.0 112.076 175.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -52.65 -40.16 62.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.995 0.816 . . . . 0.0 110.952 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.06 -24.37 9.82 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 128.456 2.703 . . . . 0.0 114.592 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -127.07 -39.08 1.95 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.702 1.601 . . . . 0.0 113.207 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -72.53 -25.8 61.52 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.79 1.236 . . . . 0.0 113.139 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 95.3 p -133.56 -17.44 2.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.287 1.035 . . . . 0.0 113.723 172.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.275 0.0 OUTLIER 62.29 30.52 17.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.555 1.942 . . . . 0.0 113.547 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -93.32 146.23 23.87 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.567 -0.708 . . . . 0.0 110.935 153.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -84.48 -14.76 48.23 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.91 0.884 . . . . 0.0 112.84 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 127.898 2.479 . . . . 0.0 110.79 176.914 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 112.174 -0.37 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m 57.8 31.51 20.59 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.682 1.593 . . . . 0.0 114.982 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -69.71 144.27 52.86 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.357 1.063 . . . . 0.0 112.588 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 mmt -80.13 156.03 27.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.43 1.092 . . . . 0.0 112.759 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -75.17 -12.5 60.31 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 173.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -159.36 137.49 10.4 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.617 1.567 . . . . 0.0 111.032 -171.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -114.6 23.61 12.56 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.298 1.439 . . . . 0.0 113.105 -172.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.22 23.88 74.78 Favored Glycine 0 CA--C 1.538 1.488 0 O-C-N 121.167 -0.958 . . . . 0.0 113.31 -171.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -152.37 127.45 9.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.394 1.877 . . . . 0.0 110.253 -168.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.7 HD21 HG22 ' B' ' 18' ' ' VAL . 1.1 tm? -72.16 126.67 30.37 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.767 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.9 t0 -65.69 135.94 55.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.447 1.099 . . . . 0.0 111.09 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.0 t -57.2 -29.56 63.81 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.065 -1.022 . . . . 0.0 112.235 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.96 -20.23 66.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.488 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.5 m95 -103.53 -32.26 9.55 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.017 0.927 . . . . 0.0 112.912 172.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -53.66 -45.94 70.41 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.997 1.319 . . . . 0.0 110.073 171.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -39.46 92.45 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.075 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 14' ' ' TRP . 73.2 mt -66.19 -47.02 75.3 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.506 1.122 . . . . 0.0 111.554 179.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.437 HG22 HD21 ' B' ' 10' ' ' LEU . 14.4 p -69.03 -43.5 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HG2' HD23 ' B' ' 10' ' ' LEU . 31.8 mtm105 -57.71 -44.0 85.63 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.09 -1.006 . . . . 0.0 111.819 172.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -43.13 94.1 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.118 0.967 . . . . 0.0 113.082 173.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.62 96.3 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.675 -0.64 . . . . 0.0 110.959 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.0 mmm -64.75 -51.77 60.54 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.8 p -72.21 -32.47 66.81 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -87.13 6.94 30.3 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.61 25.53 67.44 Favored Glycine 0 CA--C 1.538 1.479 0 N-CA-C 115.822 1.089 . . . . 0.0 115.822 168.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.429 HG13 ' CB ' ' B' ' 38' ' ' GLN . 16.2 t -67.83 149.75 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.475 1.51 . . . . 0.0 112.021 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.9 m -58.91 107.48 0.53 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.211 1.004 . . . . 0.0 112.607 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -62.72 -35.82 80.97 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.275 1.03 . . . . 0.0 112.344 -175.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -63.18 -37.19 86.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.91 1.284 . . . . 0.0 113.902 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -65.31 -33.41 75.91 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 118.107 0.412 . . . . 0.0 111.363 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -55.24 35.56 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.745 0.818 . . . . 0.0 111.067 174.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -62.4 -51.25 68.31 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.032 0.933 . . . . 0.0 112.898 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -61.16 -45.26 95.36 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.15 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.67 -34.36 77.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.424 1.011 . . . . 0.0 112.189 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' B' ' 21' ' ' ALA . 0.1 OUTLIER -55.69 -57.58 11.41 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.516 0.598 . . . . 0.0 111.887 172.16 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -71.73 -30.21 65.38 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -58.27 -50.28 74.15 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.733 1.213 . . . . 0.0 112.837 168.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -66.78 -39.83 87.95 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.218 0.917 . . . . 0.0 112.253 175.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -54.7 -47.52 73.6 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.943 1.247 . . . . 0.0 110.13 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -81.99 6.96 14.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.44 -45.24 3.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.726 1.21 . . . . 0.0 112.297 164.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -73.82 -33.52 64.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.662 1.985 . . . . 0.0 114.477 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.1 t -134.79 -32.75 0.97 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -168.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.9 35.19 24.07 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.637 1.575 . . . . 0.0 114.498 171.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 147.16 49.29 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.239 1.016 . . . . 0.0 113.204 174.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -77.15 159.14 29.98 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.251 1.02 . . . . 0.0 112.546 174.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.146 1.378 . . . . 0.0 113.487 175.627 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -70.81 157.54 37.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.67 1.188 . . . . 0.0 112.912 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -70.32 144.14 51.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.011 0.925 . . . . 0.0 112.551 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -69.25 145.72 52.9 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.524 1.13 . . . . 0.0 112.296 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -72.36 143.91 48.44 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.415 1.086 . . . . 0.0 112.245 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . 0.286 82.6 m-85 55.42 -161.3 0.17 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.758 2.023 . . . . 0.0 114.32 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 28.6 t0 55.81 26.25 9.37 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 125.39 1.476 . . . . 0.0 114.032 -168.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.09 -38.47 1.18 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 126.234 1.874 . . . . 0.0 112.965 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -75.54 153.37 37.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.864 1.266 . . . . 0.0 111.772 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.1 tm? -144.76 138.12 26.95 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.035 1.334 . . . . 0.0 110.364 173.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.428 ' O ' HD13 ' B' ' 10' ' ' LEU . 7.2 t0 -67.15 134.02 50.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.251 0.621 . . . . 0.0 111.684 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 16.4 m -59.19 -24.94 63.53 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.699 -1.251 . . . . 0.0 113.966 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -64.01 -23.75 67.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.839 1.655 . . . . 0.0 114.95 174.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.588 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.2 m95 -103.7 -30.94 10.11 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.654 1.182 . . . . 0.0 112.391 177.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.15 -49.1 70.01 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.129 0.972 . . . . 0.0 109.264 169.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -34.49 74.59 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 119.012 -0.518 . . . . 0.0 111.886 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.11 -49.99 57.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.104 1.361 . . . . 0.0 111.994 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.7 HG22 HD21 ' A' ' 10' ' ' LEU . 11.0 p -65.96 -40.82 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.549 -0.719 . . . . 0.0 112.356 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.597 ' HG2' HD23 ' A' ' 10' ' ' LEU . 16.5 mtm105 -64.62 -39.76 94.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.608 0.763 . . . . 0.0 110.49 176.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.94 -42.28 84.53 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.012 0.925 . . . . 0.0 112.061 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.525 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -67.77 -41.93 82.53 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 120.037 1.29 . . . . 0.0 111.541 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mmm -63.9 -40.15 95.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 62.5 p -86.39 -31.99 21.17 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -87.23 2.32 50.41 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.44 25.47 47.14 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.702 1.144 . . . . 0.0 114.769 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 30.1 t -78.41 150.11 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.073 1.349 . . . . 0.0 112.226 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.3 m -61.36 97.87 0.07 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.206 1.402 . . . . 0.0 113.193 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -59.16 -30.94 68.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.708 1.203 . . . . 0.0 113.165 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -65.2 -33.82 76.92 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.282 1.433 . . . . 0.0 114.289 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -65.84 -33.27 75.47 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 119.19 -0.433 . . . . 0.0 111.4 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -53.16 60.34 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.691 0.796 . . . . 0.0 111.5 -178.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -63.59 -48.34 77.79 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -64.02 -44.46 92.52 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -30.79 67.42 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.528 -0.732 . . . . 0.0 112.799 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -56.99 12.7 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.066 0.848 . . . . 0.0 110.076 170.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -68.83 -35.68 77.25 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.721 0.808 . . . . 0.0 112.296 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.69 -51.0 71.34 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.481 -0.762 . . . . 0.0 112.553 170.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.429 ' CB ' HG13 ' A' ' 26' ' ' VAL . 70.2 mm-40 -65.1 -39.05 92.6 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.674 1.124 . . . . 0.0 112.357 175.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -55.9 -50.11 71.57 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.724 1.147 . . . . 0.0 110.924 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -78.04 -2.66 38.25 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -47.99 5.37 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.61 1.564 . . . . 0.0 112.158 165.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 mmpp? -78.97 -53.86 6.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.938 2.095 . . . . 0.0 113.209 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 39.5 t -91.59 -29.27 17.02 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.295 1.038 . . . . 0.0 111.81 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.59 52.09 7.26 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.314 1.446 . . . . 0.0 111.661 173.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -69.05 -37.37 78.52 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.57 1.548 . . . . 0.0 114.81 -157.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 55.66 25.33 8.02 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.505 1.522 . . . . 0.0 114.71 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 125.231 1.413 . . . . 0.0 113.92 178.139 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 112.186 -0.365 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 29.3 m -65.74 156.18 33.85 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.822 1.249 . . . . 0.0 113.385 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -63.02 148.12 48.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.799 0.84 . . . . 0.0 112.487 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 24.1 mmt -107.17 -13.29 15.19 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.336 1.454 . . . . 0.0 112.018 170.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 -76.37 -7.91 56.0 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.793 2.437 . . . . 0.0 113.89 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -152.26 149.37 28.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.82 1.648 . . . . 0.0 111.138 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -148.16 47.78 1.06 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.253 1.021 . . . . 0.0 112.45 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.96 17.15 71.33 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.294 -0.879 . . . . 0.0 114.572 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -149.54 131.22 14.98 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.268 1.827 . . . . 0.0 110.56 -169.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' LEU . . . . . 0.743 HD21 HG22 ' D' ' 18' ' ' VAL . 0.9 OUTLIER -71.25 132.27 44.7 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.576 0.703 . . . . 0.0 110.905 176.109 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.11 22.06 1.01 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 116.914 2.191 . . . . 0.0 116.914 -156.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m 63.16 -36.0 0.14 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 129.957 3.303 . . . . 0.0 115.657 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -63.82 -29.34 70.54 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.885 2.074 . . . . 0.0 112.313 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.534 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.8 m95 -96.42 -30.51 13.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.956 0.903 . . . . 0.0 112.046 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -57.63 -48.92 78.11 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.639 1.575 . . . . 0.0 109.692 170.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -65.22 -29.6 70.42 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' D' ' 32' ' ' ARG . 62.2 mt -68.89 -50.73 47.06 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.747 1.219 . . . . 0.0 112.371 172.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.53 HG22 HD21 ' D' ' 10' ' ' LEU . 14.7 p -65.86 -35.61 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 O-C-N 121.528 -0.733 . . . . 0.0 112.498 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.446 ' HG2' HD23 ' D' ' 10' ' ' LEU . 36.8 mtm105 -63.91 -42.71 97.35 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.3 -0.875 . . . . 0.0 111.149 172.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -36.37 72.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.257 1.023 . . . . 0.0 113.094 170.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.45 ' HB2' HD21 ' D' ' 35' ' ' LEU . . . -69.93 -40.31 75.6 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.226 -0.921 . . . . 0.0 111.931 175.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' MET . . . . . 0.414 ' CE ' ' CD1' ' D' ' 14' ' ' TRP . 25.8 mmt -60.53 -40.73 92.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.197 0.453 . . . . 0.0 111.671 173.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 82.7 p -79.88 -35.1 38.56 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -87.14 8.25 24.57 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.436 1.016 . . . . 0.0 113.676 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.4 23.8 76.32 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.704 -1.248 . . . . 0.0 114.472 174.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' VAL . . . . . 0.435 HG13 ' CB ' ' D' ' 38' ' ' GLN . 6.5 t -66.94 145.19 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.06 1.344 . . . . 0.0 111.083 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -59.77 111.07 1.31 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.616 1.166 . . . . 0.0 111.606 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -67.19 -24.36 65.85 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -171.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -67.92 -33.74 75.27 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 171.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -63.49 -26.34 68.67 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 123.352 0.661 . . . . 0.0 112.529 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' PHE . . . . . 0.469 ' HB3' HD13 ' D' ' 17' ' ' LEU . 2.1 m-85 -53.43 -59.0 5.14 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 118.518 0.599 . . . . 0.0 111.006 168.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -63.12 -47.88 80.91 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.606 0.763 . . . . 0.0 112.582 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -64.9 -37.03 86.27 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.24 -36.8 69.19 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.598 1.09 . . . . 0.0 112.169 173.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -50.19 67.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.402 0.681 . . . . 0.0 109.706 171.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.25 -44.09 96.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 112.428 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -53.45 -47.23 69.89 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.779 1.231 . . . . 0.0 112.52 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -74.4 -43.44 56.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.932 0.787 . . . . 0.0 112.99 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -53.76 -35.66 61.51 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.232 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -53.72 -23.63 12.27 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 128.664 2.786 . . . . 0.0 114.664 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -127.09 -37.66 2.06 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.693 1.597 . . . . 0.0 112.66 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -70.52 -24.79 62.89 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.469 1.108 . . . . 0.0 113.226 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 26.1 t -144.66 -17.13 0.53 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.98 22.21 11.27 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.076 2.15 . . . . 0.0 115.156 170.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -16.24 56.82 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 168.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 66.56 -52.86 0.43 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 128.243 2.617 . . . . 0.0 116.295 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 125.236 1.414 . . . . 0.0 113.564 -179.223 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.428 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -153.23 169.07 23.93 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.18 1.392 . . . . 0.0 112.414 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -74.8 141.81 44.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.126 0.97 . . . . 0.0 111.713 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 1.9 mpt? 53.23 31.43 11.6 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.557 1.543 . . . . 0.0 113.99 -175.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.76 157.41 37.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.883 1.273 . . . . 0.0 113.395 -176.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -76.85 36.21 0.17 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.87 2.068 . . . . 0.0 115.008 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -78.3 16.72 0.74 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.254 1.422 . . . . 0.0 113.292 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.24 -34.26 0.43 Allowed Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.844 -1.16 . . . . 0.0 114.983 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -73.44 145.52 45.69 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.186 0.993 . . . . 0.0 111.842 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? -145.95 148.0 32.31 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.424 1.889 . . . . 0.0 109.934 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.497 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 6.2 t0 -64.37 136.38 57.07 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.387 0.613 . . . . 0.0 111.853 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 99.4 p -58.45 -29.07 65.87 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.689 -1.257 . . . . 0.0 113.469 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.32 -27.06 66.85 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.195 1.798 . . . . 0.0 114.297 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' TRP . . . . . 0.593 ' HB2' HD11 ' D' ' 10' ' ' LEU . 1.9 m95 -100.41 -31.28 11.38 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.096 0.862 . . . . 0.0 112.871 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -53.86 -48.09 70.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.265 1.026 . . . . 0.0 109.584 170.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -35.17 79.38 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.977 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' D' ' 14' ' ' TRP . 54.0 mt -68.06 -45.48 73.77 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.212 1.405 . . . . 0.0 112.411 177.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.743 HG22 HD21 ' C' ' 10' ' ' LEU . 10.0 p -65.6 -43.62 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.561 -0.712 . . . . 0.0 112.118 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.641 ' HG2' HD23 ' C' ' 10' ' ' LEU . 23.3 mtm105 -62.88 -41.25 99.33 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.728 -0.607 . . . . 0.0 110.615 178.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.78 -41.89 87.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.395 1.478 . . . . 0.0 113.492 173.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.93 92.19 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 121.482 -0.761 . . . . 0.0 111.486 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mmm -60.75 -40.08 91.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 76.3 p -78.41 -31.3 48.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t -81.69 5.83 17.14 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.91 22.28 78.8 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 123.903 0.763 . . . . 0.0 114.168 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 36.1 t -67.27 146.57 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.892 1.277 . . . . 0.0 111.061 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -57.92 109.84 0.81 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.274 1.03 . . . . 0.0 112.139 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.29 -31.33 71.91 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.921 0.888 . . . . 0.0 113.222 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -67.25 -36.6 81.95 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.91 0.884 . . . . 0.0 112.7 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -64.02 -29.12 70.29 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 118.572 -0.728 . . . . 0.0 112.432 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.41 -47.18 84.76 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.672 1.124 . . . . 0.0 111.707 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ARG . . . . . 0.478 ' HA ' HD22 ' C' ' 17' ' ' LEU . 9.1 tpt180 -62.72 -49.95 73.06 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.739 0.7 . . . . 0.0 112.199 172.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.47 -37.17 84.52 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.96 -30.41 62.51 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.183 1.356 . . . . 0.0 111.868 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' C' ' 21' ' ' ALA . 0.1 OUTLIER -56.34 -50.72 70.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.104 0.866 . . . . 0.0 110.243 166.46 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -61.05 -40.38 93.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.311 0.644 . . . . 0.0 112.055 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -59.63 -47.52 85.25 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.997 1.319 . . . . 0.0 112.758 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLN . . . . . 0.435 ' CB ' HG13 ' C' ' 26' ' ' VAL . 66.1 mm-40 -70.2 -43.0 71.6 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.869 -0.519 . . . . 0.0 111.729 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -53.62 -41.68 66.95 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.54 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -53.5 -23.18 9.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.203 2.601 . . . . 0.0 114.812 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -118.6 -43.0 2.71 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.055 1.742 . . . . 0.0 112.861 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -36.13 71.47 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -177.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 89.3 p -125.65 -10.68 6.76 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.111 1.364 . . . . 0.0 114.504 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.287 0.0 OUTLIER 59.11 34.24 23.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 128.642 2.777 . . . . 0.0 113.923 175.76 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -103.81 134.82 46.46 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.624 1.57 . . . . 0.0 110.311 169.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -75.85 -17.54 59.78 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.232 1.013 . . . . 0.0 112.774 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 128.292 2.637 . . . . 0.0 111.31 179.409 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.499 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -77.02 48.15 0.58 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.097 1.759 . . . . 0.0 114.281 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -156.85 171.55 20.21 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.639 1.975 . . . . 0.0 110.742 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.7 mmt -65.84 128.55 36.45 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.428 -0.795 . . . . 0.0 110.231 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -95.2 0.65 54.24 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -150.8 149.79 30.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.025 1.33 . . . . 0.0 111.596 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -149.9 46.3 0.93 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.362 1.065 . . . . 0.0 112.491 -175.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.44 19.33 74.38 Favored Glycine 0 CA--C 1.54 1.605 0 O-C-N 121.215 -0.928 . . . . 0.0 114.616 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -151.54 128.65 11.13 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.011 1.724 . . . . 0.0 110.486 -169.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.683 HD21 HG22 ' B' ' 18' ' ' VAL . 1.0 OUTLIER -73.41 130.26 39.75 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.488 0.661 . . . . 0.0 111.73 -179.123 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 11.8 t0 -67.48 136.88 55.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.77 1.228 . . . . 0.0 111.365 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.8 t -57.19 -28.9 63.25 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.049 -1.032 . . . . 0.0 112.513 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -60.99 -28.45 69.04 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 173.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.7 m95 -100.95 -31.8 10.95 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.46 1.027 . . . . 0.0 112.469 177.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -53.91 -47.28 71.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.015 1.326 . . . . 0.0 110.043 171.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -36.59 84.15 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.53 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 14' ' ' TRP . 55.5 mt -66.06 -48.04 72.34 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.472 1.109 . . . . 0.0 111.901 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.78 HG22 HD21 ' B' ' 10' ' ' LEU . 11.6 p -66.68 -41.69 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 119.946 -0.702 . . . . 0.0 112.445 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.711 ' HG2' HD23 ' B' ' 10' ' ' LEU . 79.0 mtm180 -66.22 -37.55 85.82 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.54 -0.725 . . . . 0.0 111.27 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.71 -43.9 93.95 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.19 0.996 . . . . 0.0 112.69 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.84 97.72 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.783 -0.573 . . . . 0.0 111.422 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.432 ' HB3' ' CD2' ' B' ' 6' ' ' TYR . 8.3 mmt -58.26 -51.37 70.07 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.034 0.534 . . . . 0.0 112.18 174.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.0 p -77.63 -30.96 52.48 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -174.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -83.23 4.27 27.58 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.98 21.94 78.93 Favored Glycine 0 CA--C 1.535 1.315 0 O-C-N 121.048 -1.032 . . . . 0.0 114.729 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -63.46 150.56 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.248 1.419 . . . . 0.0 111.132 174.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -65.04 89.97 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.195 0.998 . . . . 0.0 112.274 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -21.65 65.37 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.864 1.266 . . . . 0.0 114.239 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -60.03 -36.21 76.78 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 165.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -65.5 -35.1 79.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 118.694 -0.669 . . . . 0.0 111.712 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -55.89 -47.62 77.07 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.855 0.752 . . . . 0.0 110.522 173.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -63.2 -53.39 53.9 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.881 0.764 . . . . 0.0 113.031 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -63.21 -40.72 98.27 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 117.816 0.28 . . . . 0.0 111.665 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -68.49 -33.18 73.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.006 0.922 . . . . 0.0 112.169 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -54.51 46.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.392 0.677 . . . . 0.0 111.201 173.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -68.4 -36.71 79.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.7 0.4 . . . . 0.0 111.874 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -54.56 -52.26 62.66 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.657 0.783 . . . . 0.0 112.448 169.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -66.15 -40.68 90.74 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.271 0.941 . . . . 0.0 112.289 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -56.38 -51.59 67.74 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.553 1.524 . . . . 0.0 110.638 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -77.0 -10.77 59.59 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -85.79 -45.31 11.73 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.588 1.155 . . . . 0.0 112.39 165.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -47.53 5.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.35 1.86 . . . . 0.0 113.62 -162.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 t -84.14 -32.68 24.54 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.094 0.958 . . . . 0.0 111.042 167.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.72 52.25 6.91 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.896 1.678 . . . . 0.0 112.039 173.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -63.67 -27.39 69.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.161 1.784 . . . . 0.0 114.845 -168.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 61.41 -56.47 0.11 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.22 2.208 . . . . 0.0 112.936 -161.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.513 1.925 . . . . 0.0 111.09 167.423 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 112.006 -0.438 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -74.54 -42.01 59.59 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.942 0.897 . . . . 0.0 113.125 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 52.2 42.91 30.97 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.908 1.683 . . . . 0.0 113.899 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 17.9 ptp -61.93 156.95 19.61 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.603 1.561 . . . . 0.0 113.72 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -71.26 158.86 35.65 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.438 1.095 . . . . 0.0 112.784 175.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' A' ' 22' ' ' MET . 2.7 t80 66.98 155.71 0.1 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.04 2.136 . . . . 0.0 115.383 177.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -151.03 40.03 0.7 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.593 1.157 . . . . 0.0 112.569 -174.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.01 17.21 69.48 Favored Glycine 0 CA--C 1.539 1.558 0 O-C-N 121.124 -0.985 . . . . 0.0 114.344 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -148.14 132.27 17.33 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.734 2.014 . . . . 0.0 110.19 -171.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.78 HD21 HG22 ' A' ' 18' ' ' VAL . 1.5 tm? -69.35 122.27 18.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.777 0.431 . . . . 0.0 110.213 174.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -67.03 133.64 50.31 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.312 0.645 . . . . 0.0 110.33 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.9 m -59.48 -22.19 61.21 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 -167.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.77 -25.66 66.68 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.543 1.937 . . . . 0.0 114.522 172.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.516 ' HB2' HD11 ' B' ' 10' ' ' LEU . 3.0 m95 -102.28 -32.16 10.19 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.174 0.99 . . . . 0.0 112.627 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -54.17 -49.25 69.75 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.323 1.049 . . . . 0.0 109.394 169.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -34.27 76.5 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.776 -0.63 . . . . 0.0 112.176 -177.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 14' ' ' TRP . 69.5 mt -67.15 -48.54 67.71 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.774 1.23 . . . . 0.0 112.157 176.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.683 HG22 HD21 ' A' ' 10' ' ' LEU . 15.0 p -66.52 -41.14 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 120.016 -0.673 . . . . 0.0 112.193 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.57 ' HG2' HD23 ' A' ' 10' ' ' LEU . 17.3 mtm105 -66.07 -38.16 87.62 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.394 -0.817 . . . . 0.0 110.68 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.39 -41.62 89.8 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.538 1.135 . . . . 0.0 112.606 170.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.76 -43.29 84.48 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.196 0.907 . . . . 0.0 111.323 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mmm -62.6 -42.91 99.85 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -78.0 -28.2 49.2 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -75.06 -28.33 60.33 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.942 0.792 . . . . 0.0 112.411 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.32 25.78 46.38 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 113.034 -170.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.4 t -60.04 150.0 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.549 1.94 . . . . 0.0 111.036 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 67.5 m -58.41 102.75 0.12 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.07 0.948 . . . . 0.0 112.634 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -61.48 -33.99 74.7 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.523 1.129 . . . . 0.0 112.277 -174.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -60.88 -35.14 75.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.413 1.485 . . . . 0.0 114.292 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.97 -32.88 74.41 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.13 0.572 . . . . 0.0 111.901 -176.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.04 -58.75 6.14 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.529 0.604 . . . . 0.0 110.87 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -64.33 -47.95 77.43 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.166 0.986 . . . . 0.0 113.119 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -63.97 -43.36 96.02 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 119.513 -0.28 . . . . 0.0 111.568 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -66.78 -36.0 81.39 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.83 0.741 . . . . 0.0 112.208 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -54.75 42.17 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.144 0.977 . . . . 0.0 110.815 174.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -67.8 -36.01 79.67 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.395 0.678 . . . . 0.0 111.956 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.69 -50.15 72.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.789 0.836 . . . . 0.0 112.595 169.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -67.42 -37.83 83.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.421 1.009 . . . . 0.0 112.632 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -55.99 -48.87 75.05 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.233 1.379 . . . . 0.0 110.254 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -77.69 -5.0 49.0 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -93.92 -48.92 6.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.197 1.399 . . . . 0.0 112.409 167.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -57.98 3.48 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.988 2.115 . . . . 0.0 112.778 -177.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -87.68 -29.96 20.74 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.725 1.21 . . . . 0.0 111.893 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.84 37.96 27.1 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.415 1.486 . . . . 0.0 112.381 172.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.23 42.57 0.42 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.125 2.17 . . . . 0.0 115.085 -167.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -72.93 -14.15 61.4 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 . . . . . 0 C--O 1.253 1.284 0 C-N-CA 126.282 1.833 . . . . 0.0 112.33 178.6 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -66.0 149.99 49.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.622 1.169 . . . . 0.0 113.169 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -65.53 137.65 57.54 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.046 0.938 . . . . 0.0 111.911 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 25.1 ptp -146.87 9.11 0.99 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.663 1.185 . . . . 0.0 114.074 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -72.34 153.59 41.4 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.136 -0.977 . . . . 0.0 112.052 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.424 ' HE1' HD22 ' C' ' 10' ' ' LEU . 57.6 m-85 60.06 25.13 14.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 170.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -74.55 9.65 1.68 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.419 1.888 . . . . 0.0 114.264 167.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.91 -20.31 7.23 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.683 2.087 . . . . 0.0 112.562 -163.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -70.17 153.35 43.22 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.813 1.645 . . . . 0.0 112.27 166.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' C' ' 14' ' ' TRP . 3.1 tm? -142.49 140.7 31.96 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.544 1.938 . . . . 0.0 109.977 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.419 ' O ' HD13 ' C' ' 10' ' ' LEU . 8.3 t0 -66.88 130.61 43.73 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.239 0.543 . . . . 0.0 111.588 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 18.1 m -58.06 -25.79 61.69 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.714 -1.241 . . . . 0.0 113.838 -171.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -63.52 -27.53 69.32 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.553 1.941 . . . . 0.0 114.512 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.606 ' HB2' HD11 ' C' ' 10' ' ' LEU . 2.5 m95 -97.68 -32.36 11.8 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.026 0.83 . . . . 0.0 112.668 177.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -54.27 -46.38 72.68 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.264 1.425 . . . . 0.0 110.184 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -33.87 77.01 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.832 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' C' ' 14' ' ' TRP . 47.7 mt -68.23 -48.11 66.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.367 1.067 . . . . 0.0 112.246 176.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.68 -41.7 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.577 -0.702 . . . . 0.0 112.052 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -63.29 -40.42 97.31 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.181 0.992 . . . . 0.0 112.61 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -60.84 -40.24 92.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.156 1.382 . . . . 0.0 113.537 170.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.97 90.26 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.419 -0.801 . . . . 0.0 111.034 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mmm -60.57 -45.48 93.76 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 73.8 p -73.13 -31.14 64.1 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 5.2 t -83.3 4.63 26.3 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.93 20.71 80.02 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.195 -0.94 . . . . 0.0 114.894 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' VAL . . . . . 0.5 HG13 ' CB ' ' D' ' 38' ' ' GLN . 23.5 t -59.44 144.99 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.596 1.558 . . . . 0.0 111.015 176.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 65.3 m -56.82 110.95 0.89 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.177 0.991 . . . . 0.0 112.171 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -65.59 -28.0 68.82 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -67.89 -40.61 83.46 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.767 0.712 . . . . 0.0 112.368 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -61.96 -29.15 70.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 118.409 0.55 . . . . 0.0 112.381 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -53.75 51.06 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.109 0.868 . . . . 0.0 110.959 171.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -64.23 -49.2 72.89 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.43 1.092 . . . . 0.0 113.0 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.76 -38.97 93.1 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -74.7 -33.66 62.46 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.563 1.145 . . . . 0.0 112.041 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -54.27 33.49 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.641 -0.662 . . . . 0.0 110.299 165.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.42 -32.21 73.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.257 0.623 . . . . 0.0 112.529 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -58.74 -54.64 44.77 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.607 1.163 . . . . 0.0 112.199 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLN . . . . . 0.44 ' CB ' HG13 ' D' ' 26' ' ' VAL . 95.0 mm-40 -67.23 -40.85 86.4 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.581 0.628 . . . . 0.0 111.585 177.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -53.69 -41.17 66.64 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.649 0.78 . . . . 0.0 111.17 173.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -53.91 -23.08 11.59 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.641 1.977 . . . . 0.0 114.489 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -116.95 -40.83 3.09 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.542 1.537 . . . . 0.0 113.484 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -74.36 -25.37 59.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.824 1.25 . . . . 0.0 113.79 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 93.8 p -135.07 -20.09 1.71 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.252 1.421 . . . . 0.0 114.036 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.67 27.95 14.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.894 2.078 . . . . 0.0 113.942 170.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -70.77 -22.92 62.33 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 57.95 42.01 23.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.54 1.536 . . . . 0.0 113.94 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.348 1.459 . . . . 0.0 114.151 175.762 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m -64.66 148.26 51.33 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.596 1.159 . . . . 0.0 112.988 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -69.8 150.89 46.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.903 0.881 . . . . 0.0 112.558 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 35.3 mmt -77.87 83.7 4.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.301 1.44 . . . . 0.0 111.455 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.21 -46.87 66.35 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 51.74 32.98 10.24 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.303 1.841 . . . . 0.0 115.358 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -76.5 53.53 0.87 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.808 1.643 . . . . 0.0 111.904 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.88 -21.26 47.03 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.667 1.603 . . . . 0.0 113.591 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 141.27 54.99 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.034 1.334 . . . . 0.0 111.518 169.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.7 tm? -129.55 135.56 48.74 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.238 1.415 . . . . 0.0 109.989 165.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -63.43 132.09 50.3 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.949 0.499 . . . . 0.0 111.561 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -58.33 -26.35 62.98 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.923 -1.11 . . . . 0.0 113.376 -172.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -61.53 -26.4 67.91 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.752 2.021 . . . . 0.0 114.948 173.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' TRP . . . . . 0.605 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.2 m95 -100.2 -32.1 11.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.826 0.85 . . . . 0.0 112.646 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -55.43 -44.64 76.48 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.518 1.527 . . . . 0.0 111.113 170.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -32.6 74.13 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 177.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' D' ' 14' ' ' TRP . 71.3 mt -68.46 -45.03 73.55 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.343 1.057 . . . . 0.0 112.09 174.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.514 HG22 HD21 ' C' ' 10' ' ' LEU . 11.7 p -67.4 -42.11 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 121.785 -0.572 . . . . 0.0 112.328 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -58.19 -41.72 84.54 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.035 -1.041 . . . . 0.0 112.354 169.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.95 -38.41 78.97 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.92 0.888 . . . . 0.0 112.469 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.12 -44.68 71.92 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.196 0.907 . . . . 0.0 111.076 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.6 mmm -61.52 -40.5 94.85 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.768 0.427 . . . . 0.0 111.857 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 60.8 p -83.46 -32.31 26.09 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -83.77 8.37 14.89 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.17 19.27 78.49 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.193 -0.942 . . . . 0.0 114.484 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' VAL . . . . . 0.44 HG13 ' CB ' ' C' ' 38' ' ' GLN . 41.6 t -64.9 144.29 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.323 1.449 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 60.9 m -58.82 114.75 2.69 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.92 0.888 . . . . 0.0 111.868 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -66.65 -28.58 68.58 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.319 0.648 . . . . 0.0 112.706 -171.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -65.87 -39.43 90.7 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.453 0.701 . . . . 0.0 112.708 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -60.05 -29.29 68.43 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.306 0.642 . . . . 0.0 112.315 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.24 -56.35 19.18 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.132 0.878 . . . . 0.0 111.515 175.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.45 -45.24 84.53 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.575 0.75 . . . . 0.0 112.69 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.12 -41.7 97.13 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.426 ' HA ' ' HB3' ' D' ' 37' ' ' TYR . 0.0 OUTLIER -73.62 -33.86 64.76 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.301 1.04 . . . . 0.0 112.972 174.511 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -52.53 52.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.842 0.746 . . . . 0.0 109.192 169.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -65.85 -41.07 92.16 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.682 0.793 . . . . 0.0 112.593 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' D' ' 34' ' ' PHE . 3.3 t80 -52.98 -46.83 68.44 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.212 1.405 . . . . 0.0 111.947 175.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 38' ' ' GLN . . . . . 0.5 ' CB ' HG13 ' C' ' 26' ' ' VAL . 82.7 mm-40 -71.84 -43.34 65.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.669 -0.681 . . . . 0.0 112.511 174.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -55.82 -40.23 72.49 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.452 1.024 . . . . 0.0 112.503 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -54.37 -26.27 29.19 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 129.209 3.004 . . . . 0.0 113.591 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -117.08 -38.91 3.29 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.659 1.584 . . . . 0.0 113.607 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -44.69 72.17 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.415 1.086 . . . . 0.0 112.463 176.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 33.3 p -116.47 -22.79 8.57 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.35 40.41 14.23 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.148 1.379 . . . . 0.0 113.319 175.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -56.61 139.4 50.13 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.584 -0.697 . . . . 0.0 110.632 163.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -152.01 154.66 36.45 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.299 1.04 . . . . 0.0 111.743 -168.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 125.506 1.522 . . . . 0.0 113.811 179.782 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -153.5 163.13 40.49 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.245 1.418 . . . . 0.0 111.874 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -67.75 152.35 45.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.868 1.267 . . . . 0.0 113.097 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.9 mtm -68.94 148.19 50.55 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.348 1.059 . . . . 0.0 112.677 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -71.75 -14.14 61.92 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.713 1.605 . . . . 0.0 115.257 -175.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -154.28 159.27 41.17 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.13 1.372 . . . . 0.0 112.866 -168.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -153.2 42.21 0.58 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.627 1.171 . . . . 0.0 112.508 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.0 14.13 65.32 Favored Glycine 0 CA--C 1.541 1.689 0 O-C-N 120.953 -1.092 . . . . 0.0 113.96 -170.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -154.67 142.98 20.45 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.51 2.724 . . . . 0.0 109.136 -167.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.807 HD21 HG22 ' B' ' 18' ' ' VAL . 1.2 tm? -70.22 126.32 29.31 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.575 0.703 . . . . 0.0 111.375 174.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 12.9 t0 -66.79 138.24 57.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.351 1.46 . . . . 0.0 111.713 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 t -58.33 -26.68 63.37 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.585 -1.322 . . . . 0.0 112.66 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.39 -27.68 69.47 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.703 1.601 . . . . 0.0 114.901 173.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.452 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.4 m95 -99.99 -31.98 11.19 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.133 0.879 . . . . 0.0 112.42 176.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -53.94 -47.48 71.22 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.111 1.364 . . . . 0.0 109.98 171.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -33.01 74.92 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.821 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 14' ' ' TRP . 75.7 mt -69.72 -47.9 61.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.604 1.162 . . . . 0.0 111.921 177.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.451 HG22 HD21 ' B' ' 10' ' ' LEU . 11.6 p -67.7 -41.49 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.647 -0.658 . . . . 0.0 111.989 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -65.04 -36.85 85.69 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.832 -1.167 . . . . 0.0 112.759 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.45 -42.24 86.95 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.204 1.002 . . . . 0.0 112.14 167.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.25 -44.78 87.07 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 119.145 0.884 . . . . 0.0 111.049 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.3 mmm -62.63 -48.88 77.44 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.1 p -70.61 -27.69 64.27 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.9 t -74.33 -28.43 61.15 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.276 0.944 . . . . 0.0 112.275 175.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.99 23.33 55.72 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.567 -0.708 . . . . 0.0 113.009 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.417 HG13 ' CB ' ' B' ' 38' ' ' GLN . 16.0 t -58.9 147.11 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.847 1.659 . . . . 0.0 110.367 170.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.5 m -61.28 101.12 0.15 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.767 0.827 . . . . 0.0 112.755 -174.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -62.59 -25.81 68.27 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.549 1.14 . . . . 0.0 113.572 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -65.87 -37.37 85.98 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -63.36 -33.83 76.39 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 119.023 -0.513 . . . . 0.0 111.175 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -56.44 16.82 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.807 0.843 . . . . 0.0 111.164 174.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -64.29 -51.12 65.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.89 0.876 . . . . 0.0 113.173 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -65.89 -38.52 88.97 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -68.96 -33.58 73.93 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.116 0.871 . . . . 0.0 111.946 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' B' ' 21' ' ' ALA . 0.2 OUTLIER -56.77 -54.55 45.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.185 0.594 . . . . 0.0 111.13 171.247 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.12 -36.49 82.02 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -54.86 -54.64 39.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.855 0.862 . . . . 0.0 112.161 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' CB ' HG13 ' B' ' 26' ' ' VAL . 83.7 mm-40 -67.35 -36.8 82.13 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 118.333 -0.842 . . . . 0.0 112.67 177.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -55.83 -52.41 64.14 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.605 1.548 . . . . 0.0 110.811 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -73.82 -13.16 60.89 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -91.56 -49.73 6.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.226 1.41 . . . . 0.0 112.78 169.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -82.45 -51.82 7.47 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.641 2.376 . . . . 0.0 113.155 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -89.0 -33.0 17.34 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.503 0.721 . . . . 0.0 111.447 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.9 39.03 20.82 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.198 1.399 . . . . 0.0 112.398 174.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -57.66 136.3 56.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.379 1.472 . . . . 0.0 111.326 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -85.86 -17.94 34.22 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 126.758 2.023 . . . . 0.0 112.154 -176.712 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -73.17 -22.47 60.48 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -69.05 147.77 51.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.17 0.988 . . . . 0.0 112.964 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 24.6 ptp -152.1 -4.95 0.24 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.51 1.524 . . . . 0.0 113.741 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -59.92 126.8 28.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.66 1.584 . . . . 0.0 111.864 -175.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . 0.285 94.4 m-85 57.84 14.97 2.77 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 117.132 2.271 . . . . 0.0 117.132 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -76.65 51.22 0.73 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.731 1.212 . . . . 0.0 111.494 166.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.79 -10.1 75.34 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.937 1.256 . . . . 0.0 114.177 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.8 149.7 37.87 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.795 1.638 . . . . 0.0 111.814 171.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.567 HD11 ' HB2' ' B' ' 14' ' ' TRP . 2.6 tm? -135.58 141.23 45.11 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.944 1.698 . . . . 0.0 110.375 171.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 9.0 t0 -67.52 137.01 55.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.667 0.787 . . . . 0.0 112.192 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 37.8 t -56.78 -28.67 61.67 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.87 -1.144 . . . . 0.0 112.753 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.38 -25.6 68.09 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.567 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.2 m95 -103.17 -31.25 10.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.26 1.024 . . . . 0.0 112.435 176.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -53.31 -46.34 69.35 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.052 1.341 . . . . 0.0 109.802 170.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -35.13 79.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.234 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 14' ' ' TRP . 74.9 mt -68.08 -48.22 66.13 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.03 1.332 . . . . 0.0 111.795 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.807 HG22 HD21 ' A' ' 10' ' ' LEU . 9.3 p -66.19 -41.34 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.892 -0.505 . . . . 0.0 112.002 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.575 ' HG2' HD23 ' A' ' 10' ' ' LEU . 36.0 mtm105 -65.23 -40.06 93.58 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.293 -0.879 . . . . 0.0 110.888 177.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.72 -41.13 81.15 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.295 1.038 . . . . 0.0 112.475 170.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.48 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -65.3 -43.48 90.95 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 119.243 0.928 . . . . 0.0 111.074 177.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 2.1 mmm -61.74 -46.12 90.97 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -80.22 -27.13 38.83 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.6 t -81.5 1.78 31.87 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 25.36 73.63 Favored Glycine 0 CA--C 1.537 1.443 0 O-C-N 120.69 -1.256 . . . . 0.0 113.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.428 HG13 ' CB ' ' A' ' 38' ' ' GLN . 25.4 t -67.3 148.25 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 110.817 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.5 m -57.55 99.77 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.901 1.28 . . . . 0.0 113.085 -175.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -60.32 -31.87 70.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.12 0.968 . . . . 0.0 112.861 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -64.02 -35.98 82.48 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.185 1.394 . . . . 0.0 113.753 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -64.04 -34.92 79.12 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.135 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -52.38 66.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.954 0.797 . . . . 0.0 111.493 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -64.13 -50.89 66.47 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -64.16 -44.74 91.18 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 119.196 -0.43 . . . . 0.0 111.842 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -26.83 63.81 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.479 1.036 . . . . 0.0 113.023 176.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -56.19 24.43 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.504 1.047 . . . . 0.0 110.875 168.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -67.9 -34.8 77.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.768 0.427 . . . . 0.0 112.056 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -56.25 -54.44 45.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.997 0.919 . . . . 0.0 112.677 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.417 ' CB ' HG13 ' A' ' 26' ' ' VAL . 55.0 mm-40 -66.93 -35.86 80.95 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 118.181 -0.914 . . . . 0.0 112.254 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.04 -51.22 68.59 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 120.934 1.697 . . . . 0.0 110.488 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -75.03 -3.98 35.7 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -46.43 5.0 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.73 1.612 . . . . 0.0 112.466 170.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -55.58 4.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 127.081 2.152 . . . . 0.0 112.625 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.4 t -85.89 -37.05 19.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.729 0.812 . . . . 0.0 111.585 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.18 37.61 28.48 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.797 1.239 . . . . 0.0 112.065 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -61.64 140.99 58.09 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.332 1.453 . . . . 0.0 112.372 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -82.77 -15.54 51.34 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.554 2.342 . . . . 0.0 111.043 178.127 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -66.13 -22.21 66.38 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.125 0.97 . . . . 0.0 112.978 171.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -133.57 169.64 16.69 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.307 2.243 . . . . 0.0 110.193 168.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.4 156.03 38.66 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.872 0.869 . . . . 0.0 111.944 175.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -69.05 -13.98 62.76 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.686 1.195 . . . . 0.0 113.832 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' D' ' 22' ' ' MET . 11.3 t80 -147.6 144.03 28.15 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.825 1.65 . . . . 0.0 110.69 174.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -149.47 49.97 0.95 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.29 1.036 . . . . 0.0 111.885 -174.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.34 17.18 72.09 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.214 0.912 . . . . 0.0 114.554 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -145.17 129.02 17.35 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.03 1.732 . . . . 0.0 110.817 -172.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' LEU . . . . . 0.759 HD21 HG22 ' D' ' 18' ' ' VAL . 1.0 OUTLIER -72.31 136.83 46.34 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.566 1.146 . . . . 0.0 110.986 176.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -77.46 21.17 0.27 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.187 2.292 . . . . 0.0 117.187 -164.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m 63.54 -32.84 0.12 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 130.18 3.392 . . . . 0.0 115.81 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -63.98 -47.97 78.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 126.037 1.735 . . . . 0.0 110.983 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.586 ' HB2' HD11 ' C' ' 10' ' ' LEU . 4.9 m95 -74.05 -27.43 60.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.658 0.783 . . . . 0.0 111.672 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.17 -51.79 58.96 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.189 1.795 . . . . 0.0 110.808 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -65.2 -28.25 69.25 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.567 176.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.44 -48.71 63.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.478 1.111 . . . . 0.0 113.645 172.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.418 HG22 HD21 ' D' ' 10' ' ' LEU . 9.6 p -64.76 -39.72 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 120.674 -1.266 . . . . 0.0 111.837 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -64.48 -37.95 89.31 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.756 1.222 . . . . 0.0 112.232 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.98 -41.66 83.45 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.42 1.088 . . . . 0.0 112.301 167.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.61 78.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.76 1.164 . . . . 0.0 111.558 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -60.52 -37.68 81.92 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 57.3 p -85.99 -31.2 22.18 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.86 8.49 19.96 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.664 1.12 . . . . 0.0 114.014 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.91 19.83 78.42 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.639 1.114 . . . . 0.0 114.569 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' VAL . . . . . 0.491 HG13 ' CB ' ' D' ' 38' ' ' GLN . 39.1 t -70.21 146.06 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.761 1.625 . . . . 0.0 111.392 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 62.8 m -59.71 110.01 1.05 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.16 0.984 . . . . 0.0 112.555 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -65.98 -27.54 68.22 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.72 -36.44 82.47 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -62.99 -29.02 70.5 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -54.76 43.13 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.056 0.844 . . . . 0.0 111.216 173.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -65.16 -50.09 67.3 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.233 0.613 . . . . 0.0 112.632 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -65.94 -36.95 84.76 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -74.54 -31.77 62.22 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.398 0.999 . . . . 0.0 112.343 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.45 -53.91 50.37 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.832 0.742 . . . . 0.0 109.93 166.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -60.51 -37.0 79.72 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.503 0.721 . . . . 0.0 112.151 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -62.21 -48.56 79.46 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.701 1.2 . . . . 0.0 113.56 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' GLN . . . . . 0.468 ' CB ' HG13 ' D' ' 26' ' ' VAL . 93.7 mm-40 -68.83 -40.9 79.19 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.053 -1.029 . . . . 0.0 111.228 175.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -54.57 -38.51 66.75 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.801 0.841 . . . . 0.0 111.138 172.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -54.29 -26.27 28.37 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 128.441 2.696 . . . . 0.0 114.484 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -121.66 -40.2 2.57 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.799 1.24 . . . . 0.0 113.257 -177.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -73.13 -22.99 60.42 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.837 1.255 . . . . 0.0 113.149 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -132.68 -26.06 1.83 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.653 1.181 . . . . 0.0 113.423 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.48 27.61 17.12 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.641 1.976 . . . . 0.0 114.092 175.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.24 -21.69 56.06 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 62.86 -37.0 0.14 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.837 2.855 . . . . 0.0 116.305 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.508 1.923 . . . . 0.0 113.698 -179.74 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -62.92 147.16 51.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.531 1.132 . . . . 0.0 112.964 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 50.1 m170 -69.68 148.33 49.42 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.897 0.879 . . . . 0.0 112.57 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 56.5 mtt -76.79 -28.35 55.59 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.369 1.068 . . . . 0.0 112.836 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -81.59 117.62 22.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.137 0.975 . . . . 0.0 110.66 171.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -85.69 160.53 19.53 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.234 1.014 . . . . 0.0 113.027 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -139.88 61.27 1.54 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.648 1.579 . . . . 0.0 110.593 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.16 -17.16 44.04 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.136 1.351 . . . . 0.0 114.361 -175.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -56.21 149.1 16.76 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.219 1.808 . . . . 0.0 111.859 169.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.7 tm? -138.94 135.32 34.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.352 1.061 . . . . 0.0 109.806 160.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 9.0 t0 -62.15 136.54 57.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.463 0.705 . . . . 0.0 111.928 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -56.2 -30.24 62.01 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.019 -1.051 . . . . 0.0 112.339 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -60.43 -28.27 68.14 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' TRP . . . . . 0.572 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.4 m95 -102.04 -31.09 10.81 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.42 1.009 . . . . 0.0 112.315 177.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -53.77 -48.69 69.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.511 1.124 . . . . 0.0 109.851 170.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -35.83 81.57 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.067 -177.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' D' ' 14' ' ' TRP . 74.6 mt -65.91 -45.64 81.19 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.124 1.369 . . . . 0.0 111.879 176.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.759 HG22 HD21 ' C' ' 10' ' ' LEU . 14.9 p -67.01 -43.06 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 178.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.643 ' HG2' HD23 ' C' ' 10' ' ' LEU . 17.7 mtm105 -63.07 -38.27 90.53 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.719 -0.613 . . . . 0.0 110.492 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.97 -40.18 88.21 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.452 1.101 . . . . 0.0 113.192 170.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.85 84.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.381 0.991 . . . . 0.0 111.196 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' MET . . . . . 0.426 ' HB3' ' CD1' ' C' ' 6' ' ' TYR . 17.3 mmt -57.34 -44.65 84.46 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 173.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 82.8 p -82.97 -31.82 27.39 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.2 t -84.12 7.17 19.69 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.26 21.66 79.2 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.219 0.914 . . . . 0.0 114.405 175.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' C' ' 38' ' ' GLN . 26.2 t -67.29 145.9 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.95 1.7 . . . . 0.0 111.088 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -60.1 108.91 0.85 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.928 0.891 . . . . 0.0 111.889 -174.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -65.36 -26.76 68.16 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -173.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.13 -37.58 86.07 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 118.794 0.725 . . . . 0.0 112.496 172.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -62.38 -28.94 70.12 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.209 0.604 . . . . 0.0 112.361 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.24 -56.57 18.46 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.51 0.595 . . . . 0.0 110.548 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.19 -48.29 68.36 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.077 0.951 . . . . 0.0 113.05 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.41 -40.61 97.08 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -74.58 -32.72 62.47 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.91 0.884 . . . . 0.0 112.557 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -53.57 50.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.802 0.728 . . . . 0.0 110.273 168.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -63.99 -38.71 92.09 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.962 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -57.83 -47.76 81.72 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.727 1.149 . . . . 0.0 113.156 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' GLN . . . . . 0.491 ' CB ' HG13 ' C' ' 26' ' ' VAL . 89.0 mm-40 -69.98 -39.55 75.87 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.02 -1.05 . . . . 0.0 112.024 175.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -55.77 -41.03 73.43 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.086 171.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -57.04 -19.92 21.62 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 129.312 3.045 . . . . 0.0 114.364 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -119.92 -42.9 2.58 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.708 1.603 . . . . 0.0 113.219 -173.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -80.58 -25.88 38.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.917 1.687 . . . . 0.0 113.138 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -131.59 -16.5 3.01 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.285 0.0 OUTLIER 64.64 22.1 12.55 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.769 2.028 . . . . 0.0 114.578 176.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -83.38 148.05 27.54 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.193 1.397 . . . . 0.0 111.266 159.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -79.2 -24.85 42.85 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 C--O 1.251 1.142 0 C-N-CA 128.063 2.545 . . . . 0.0 111.371 -178.437 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -70.27 174.23 5.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.47 2.308 . . . . 0.0 113.374 -2.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -59.41 153.82 18.31 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.292 1.837 . . . . 0.0 113.81 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.7 ptp -75.11 162.2 28.73 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.677 1.191 . . . . 0.0 112.745 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -77.64 41.46 0.33 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.01 1.724 . . . . 0.0 113.316 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' B' ' 22' ' ' MET . 3.3 t80 -153.59 157.33 39.53 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.858 -1.151 . . . . 0.0 112.929 -166.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -142.25 42.17 1.64 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.23 1.412 . . . . 0.0 111.535 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.37 19.27 74.21 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.545 1.069 . . . . 0.0 114.527 -175.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -149.4 127.4 11.92 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.483 1.513 . . . . 0.0 111.468 -170.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.738 HD21 HG22 ' B' ' 18' ' ' VAL . 0.8 OUTLIER -70.6 131.41 43.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.772 0.829 . . . . 0.0 109.629 173.787 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -77.11 24.09 0.18 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 -162.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m 63.68 -32.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 130.432 3.493 . . . . 0.0 115.883 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -62.04 -50.53 71.62 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.628 1.971 . . . . 0.0 110.395 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' HB2' HD11 ' A' ' 10' ' ' LEU . 3.6 m95 -75.15 -27.04 59.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.698 1.199 . . . . 0.0 111.947 -175.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -65.95 -50.75 63.28 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.406 1.882 . . . . 0.0 111.215 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -29.5 68.87 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 118.318 -0.848 . . . . 0.0 112.405 176.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.48 -46.19 80.74 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.412 1.085 . . . . 0.0 113.142 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.5 -39.66 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 121.055 -1.028 . . . . 0.0 111.928 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -61.0 -40.26 92.83 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.09 -1.006 . . . . 0.0 112.043 170.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -40.44 80.84 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.237 1.015 . . . . 0.0 112.01 171.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -43.93 79.08 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.582 1.083 . . . . 0.0 111.685 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.9 mmm -62.63 -37.17 85.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.065 0.546 . . . . 0.0 112.163 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -87.59 -34.0 18.69 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -85.58 8.75 18.22 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.16 22.51 68.06 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.425 1.012 . . . . 0.0 115.101 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -73.68 148.03 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.098 1.359 . . . . 0.0 111.979 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.2 m -65.88 103.15 0.87 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.93 0.892 . . . . 0.0 112.923 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -60.83 -27.64 68.22 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.554 1.542 . . . . 0.0 114.137 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -65.96 -35.18 79.89 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -67.36 -30.64 70.5 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 118.778 -0.629 . . . . 0.0 111.868 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -53.39 46.56 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.301 1.04 . . . . 0.0 110.812 174.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -63.5 -50.14 70.82 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.863 0.865 . . . . 0.0 113.005 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -65.22 -36.89 85.57 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -68.88 -35.72 77.22 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.689 0.796 . . . . 0.0 111.492 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -54.79 42.03 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.505 0.722 . . . . 0.0 111.016 170.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.92 -42.98 99.15 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.409 0.549 . . . . 0.0 111.614 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.91 -52.48 60.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.3 1.04 . . . . 0.0 112.362 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' CB ' HG13 ' B' ' 26' ' ' VAL . 99.1 mm-40 -69.65 -39.33 77.16 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.964 0.802 . . . . 0.0 112.965 177.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -56.11 -49.2 74.55 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.099 1.318 . . . . 0.0 110.806 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -81.96 3.59 25.88 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.53 -46.64 4.5 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.746 -1.222 . . . . 0.0 112.486 164.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -81.03 -50.29 9.86 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 127.336 2.254 . . . . 0.0 113.772 -176.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 t -93.61 -39.79 10.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.715 0.806 . . . . 0.0 112.079 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.56 37.28 28.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.8 1.24 . . . . 0.0 112.237 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -64.99 149.67 49.4 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.389 1.476 . . . . 0.0 112.758 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -87.87 -17.33 31.67 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.002 1.721 . . . . 0.0 113.487 -178.624 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -71.08 164.44 25.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.197 0.999 . . . . 0.0 112.969 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -68.69 164.65 21.15 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.668 1.187 . . . . 0.0 113.093 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.62 146.73 54.45 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.161 0.985 . . . . 0.0 111.789 174.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -78.26 119.72 22.01 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.653 -0.654 . . . . 0.0 111.749 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -84.45 63.86 8.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 122.759 1.266 . . . . 0.0 111.599 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -75.02 8.29 2.65 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.585 1.554 . . . . 0.0 113.652 169.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.34 -31.5 0.38 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.665 1.602 . . . . 0.0 114.034 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -64.22 147.6 51.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.275 1.038 . . . . 0.0 112.641 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.0 tm? -140.28 141.29 35.81 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.373 1.469 . . . . 0.0 110.509 165.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.413 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 8.7 t0 -63.48 139.48 58.77 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.277 0.56 . . . . 0.0 112.097 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.2 p -58.1 -31.03 66.73 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.798 -1.189 . . . . 0.0 113.407 -176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.34 -28.18 69.83 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.331 1.853 . . . . 0.0 114.789 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.644 ' HB2' HD11 ' B' ' 10' ' ' LEU . 1.9 m95 -99.95 -31.87 11.25 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.231 0.923 . . . . 0.0 112.16 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -54.32 -49.96 68.48 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.232 1.013 . . . . 0.0 109.552 170.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -35.01 77.94 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.769 -0.634 . . . . 0.0 112.293 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 14' ' ' TRP . 68.2 mt -65.94 -45.55 81.4 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.829 1.251 . . . . 0.0 112.457 175.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.738 HG22 HD21 ' A' ' 10' ' ' LEU . 13.6 p -69.81 -42.38 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.638 ' HG2' HD23 ' A' ' 10' ' ' LEU . 16.2 mtm105 -60.72 -39.1 87.35 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.779 0.832 . . . . 0.0 110.29 175.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.84 -41.68 96.29 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.512 1.125 . . . . 0.0 113.258 169.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.89 97.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 119.544 1.065 . . . . 0.0 110.968 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.421 ' HB3' ' CD1' ' A' ' 6' ' ' TYR . 28.2 mmt -60.29 -52.44 65.28 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 173.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -73.89 -30.85 62.83 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.37 8.44 27.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.866 1.266 . . . . 0.0 113.517 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.69 26.1 70.43 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.515 1.055 . . . . 0.0 115.184 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.414 HG13 ' CB ' ' A' ' 38' ' ' GLN . 24.2 t -69.9 149.39 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.126 1.37 . . . . 0.0 112.138 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.0 m -56.1 110.0 0.68 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.524 1.13 . . . . 0.0 112.351 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.89 -39.61 95.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.547 0.739 . . . . 0.0 112.141 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -61.57 -35.77 78.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.402 1.481 . . . . 0.0 113.924 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -62.7 -34.84 77.96 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.635 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -51.1 68.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.27 0.941 . . . . 0.0 111.491 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -64.59 -49.2 72.06 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.17 0.988 . . . . 0.0 112.853 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -63.81 -43.14 97.15 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 118.862 -0.59 . . . . 0.0 112.023 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -33.54 76.02 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.5 1.046 . . . . 0.0 112.32 173.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -57.08 13.8 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.242 0.928 . . . . 0.0 111.332 171.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -68.95 -34.43 75.35 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -56.98 -52.68 64.28 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.368 -0.833 . . . . 0.0 112.458 170.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -64.23 -41.29 97.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.705 175.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -56.73 -51.11 70.13 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.517 1.508 . . . . 0.0 111.089 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -83.6 -0.69 51.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -176.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -47.47 5.64 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.598 1.159 . . . . 0.0 112.635 160.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -42.58 13.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.469 1.908 . . . . 0.0 113.575 -165.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 27.6 t -95.09 -31.44 13.56 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.098 0.959 . . . . 0.0 111.578 168.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.12 52.46 7.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.658 1.583 . . . . 0.0 111.952 173.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -69.86 91.37 0.64 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.07 1.748 . . . . 0.0 112.26 -169.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.07 148.37 44.38 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.031 0.932 . . . . 0.0 112.587 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.864 1.666 . . . . 0.0 112.358 -178.809 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.534 -0.627 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -70.68 156.81 39.01 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.506 1.122 . . . . 0.0 112.982 176.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -70.57 145.88 50.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.085 0.954 . . . . 0.0 112.191 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 34.7 mmt -73.65 149.19 42.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.766 0.827 . . . . 0.0 112.107 175.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -78.14 -12.95 60.03 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -78.61 150.47 32.7 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.386 1.474 . . . . 0.0 113.668 -171.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -147.82 44.36 1.09 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.722 1.209 . . . . 0.0 112.419 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.68 20.19 77.14 Favored Glycine 0 CA--C 1.539 1.547 0 O-C-N 121.257 -0.902 . . . . 0.0 114.624 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -151.47 128.22 10.89 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.043 1.737 . . . . 0.0 110.422 -170.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' LEU . . . . . 0.722 HD21 HG22 ' D' ' 18' ' ' VAL . 1.0 OUTLIER -71.4 126.75 30.48 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 111.29 178.293 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -67.62 130.57 43.44 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.272 1.029 . . . . 0.0 110.531 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.8 m -57.41 -25.35 59.45 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.071 -1.018 . . . . 0.0 113.541 -172.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.41 -28.31 69.6 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.277 1.831 . . . . 0.0 114.101 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.536 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.2 m95 -93.34 -34.11 13.62 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.472 1.033 . . . . 0.0 112.863 175.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.32 -46.81 72.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.79 1.236 . . . . 0.0 110.299 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -32.12 73.3 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.802 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' C' ' 14' ' ' TRP . 39.2 mt -69.3 -45.66 69.06 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.487 1.115 . . . . 0.0 112.311 175.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.37 -43.04 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.57 -0.706 . . . . 0.0 111.585 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -56.07 -46.56 78.96 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.665 1.186 . . . . 0.0 112.429 170.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -58.22 -42.43 86.25 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.034 1.334 . . . . 0.0 112.958 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.96 91.21 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.465 -0.772 . . . . 0.0 111.636 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 4.6 mmm -59.62 -41.65 90.91 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 70.1 p -80.35 -30.47 38.0 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -82.93 6.99 16.72 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.42 18.26 79.29 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.888 0.756 . . . . 0.0 114.418 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' D' ' 38' ' ' GLN . 17.3 t -62.4 144.86 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.469 1.508 . . . . 0.0 110.82 176.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 74.2 m -58.65 112.67 1.7 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.813 0.845 . . . . 0.0 111.677 -175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -63.53 -32.54 74.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.69 0.796 . . . . 0.0 112.218 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -65.92 -37.3 85.71 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.522 1.129 . . . . 0.0 113.432 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -63.12 -29.08 70.51 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -176.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.33 -46.69 87.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.281 0.946 . . . . 0.0 111.661 172.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -64.71 -48.23 75.4 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.663 0.665 . . . . 0.0 112.218 172.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.9 -36.3 83.93 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -29.68 58.32 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 120.215 1.37 . . . . 0.0 112.001 173.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' D' ' 21' ' ' ALA . 0.2 OUTLIER -56.21 -50.94 69.82 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.924 0.784 . . . . 0.0 110.454 165.049 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -60.47 -41.85 95.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.393 0.677 . . . . 0.0 112.09 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -57.55 -51.15 70.66 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.054 1.341 . . . . 0.0 112.529 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' GLN . . . . . 0.458 ' CB ' HG13 ' D' ' 26' ' ' VAL . 89.0 mm-40 -71.72 -38.3 70.52 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.765 -0.584 . . . . 0.0 111.789 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -55.79 -37.54 68.72 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.222 0.919 . . . . 0.0 111.244 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.58 -17.97 17.07 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.553 2.741 . . . . 0.0 115.295 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -128.14 -40.9 1.63 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.139 1.375 . . . . 0.0 113.437 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -75.29 -22.62 57.61 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.961 1.304 . . . . 0.0 113.006 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 32.3 t -128.49 -22.9 3.27 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.732 1.213 . . . . 0.0 113.331 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.312 0.0 OUTLIER 64.11 36.51 9.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.035 2.134 . . . . 0.0 113.961 -178.206 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -67.58 160.35 27.97 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.666 1.187 . . . . 0.0 111.964 163.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -134.64 171.48 14.28 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.313 1.845 . . . . 0.0 111.898 -171.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 . . . . . 0 N--CA 1.485 1.3 0 C-N-CA 127.382 2.273 . . . . 0.0 115.024 177.802 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -74.25 -18.05 60.79 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -153.67 160.81 42.48 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.967 1.707 . . . . 0.0 111.597 -175.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 25.2 ptp -155.14 154.06 31.75 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.199 1.4 . . . . 0.0 111.738 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -83.18 171.45 13.65 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.116 0.967 . . . . 0.0 112.233 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -69.3 -33.58 73.38 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 36.4 t0 47.88 35.05 4.43 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.623 1.969 . . . . 0.0 114.401 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.45 -5.07 85.65 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.835 1.207 . . . . 0.0 115.872 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -82.14 157.17 24.14 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.174 1.487 . . . . 0.0 111.047 166.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.6 tm? -128.36 144.78 51.18 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.249 1.419 . . . . 0.0 111.559 174.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.423 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 8.8 t0 -69.25 137.1 52.84 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.624 0.769 . . . . 0.0 112.071 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.7 t -56.75 -30.15 63.28 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.645 -1.284 . . . . 0.0 113.059 -177.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.89 -24.17 67.63 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' TRP . . . . . 0.59 ' HB2' HD11 ' D' ' 10' ' ' LEU . 1.7 m95 -105.62 -29.52 10.08 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.469 1.108 . . . . 0.0 112.577 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -53.77 -48.54 69.64 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.55 1.14 . . . . 0.0 109.308 169.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -37.52 83.18 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.568 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.04 -50.0 67.91 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.979 1.311 . . . . 0.0 111.928 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.722 HG22 HD21 ' C' ' 10' ' ' LEU . 11.3 p -65.82 -41.15 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.701 0.682 . . . . 0.0 112.65 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.6 ' HG2' HD23 ' C' ' 10' ' ' LEU . 20.5 mtm105 -63.91 -42.42 97.42 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.518 -0.739 . . . . 0.0 110.304 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.04 -37.53 77.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.137 1.375 . . . . 0.0 113.266 172.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' C' ' 35' ' ' LEU . . . -67.24 -44.97 78.12 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.218 -0.927 . . . . 0.0 111.253 174.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mmm -60.9 -36.53 79.47 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 80.8 p -83.19 -32.87 26.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -83.4 8.31 14.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.696 1.135 . . . . 0.0 114.037 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.94 18.76 76.51 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.358 0.98 . . . . 0.0 114.279 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' VAL . . . . . 0.458 HG13 ' CB ' ' C' ' 38' ' ' GLN . 28.9 t -64.42 142.38 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.267 1.427 . . . . 0.0 110.662 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 75.3 m -58.38 112.98 1.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.049 0.94 . . . . 0.0 111.747 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -63.49 -25.92 68.48 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -172.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -70.22 -34.49 72.95 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.808 0.843 . . . . 0.0 113.27 171.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -62.28 -25.53 67.9 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 123.457 0.703 . . . . 0.0 112.588 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.16 -59.65 4.38 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.567 0.621 . . . . 0.0 111.167 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -63.11 -47.36 83.14 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.741 0.817 . . . . 0.0 112.838 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -66.36 -36.25 82.41 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -72.11 -35.6 69.2 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.063 -1.023 . . . . 0.0 112.017 171.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.28 -49.36 69.77 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.632 -0.668 . . . . 0.0 110.431 170.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.52 -45.85 92.47 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.923 1.289 . . . . 0.0 112.453 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.09 -47.1 68.81 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.871 1.268 . . . . 0.0 112.277 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' GLN . . . . . 0.468 ' CB ' HG13 ' C' ' 26' ' ' VAL . 93.8 mm-40 -74.4 -46.36 40.7 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 175.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.1 -35.15 61.82 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 117.767 -1.111 . . . . 0.0 111.208 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.56 -23.34 10.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.286 2.234 . . . . 0.0 114.615 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -127.24 -38.12 2.0 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.131 1.772 . . . . 0.0 113.109 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -67.93 -21.27 65.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.768 1.227 . . . . 0.0 113.268 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 45.5 p -138.4 -29.32 0.81 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.26 19.42 10.1 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.124 1.77 . . . . 0.0 113.923 -174.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -69.72 -33.79 72.98 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.701 -1.249 . . . . 0.0 113.519 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 58.94 25.16 13.41 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.354 1.462 . . . . 0.0 113.235 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 127.133 2.173 . . . . 0.0 112.359 -172.63 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -78.54 127.96 32.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.89 0.876 . . . . 0.0 111.203 172.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -140.79 154.33 46.21 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.291 1.436 . . . . 0.0 111.822 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.4 mtm -71.9 154.88 40.94 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.651 1.181 . . . . 0.0 112.806 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -71.88 -7.59 49.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.541 1.536 . . . . 0.0 113.987 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -146.97 144.89 29.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.228 1.811 . . . . 0.0 110.811 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -148.34 55.84 1.04 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.051 0.94 . . . . 0.0 112.416 -173.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.47 17.63 72.8 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.226 0.917 . . . . 0.0 115.149 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -145.11 126.76 15.17 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.872 1.669 . . . . 0.0 110.698 -173.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.658 HD21 HG22 ' B' ' 18' ' ' VAL . 0.7 OUTLIER -72.0 131.32 42.76 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.49 0.662 . . . . 0.0 111.366 175.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.7 t0 -69.2 131.67 45.3 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.168 0.987 . . . . 0.0 110.365 175.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -57.17 -25.62 59.27 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.138 -0.976 . . . . 0.0 113.301 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.66 -26.02 68.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.332 1.853 . . . . 0.0 114.885 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.529 ' HB2' HD11 ' A' ' 10' ' ' LEU . 3.3 m95 -99.54 -32.93 10.86 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.273 0.942 . . . . 0.0 112.845 175.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -53.9 -46.6 71.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.341 1.457 . . . . 0.0 110.119 171.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -32.4 73.93 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 118.666 -0.683 . . . . 0.0 112.476 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 14' ' ' TRP . 52.5 mt -70.98 -50.0 39.18 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.813 1.245 . . . . 0.0 111.825 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.88 -42.32 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.874 -0.516 . . . . 0.0 111.773 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.0 ttp180 -62.58 -41.97 99.27 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.883 1.273 . . . . 0.0 112.506 175.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.8 -43.91 85.95 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.991 0.916 . . . . 0.0 112.636 170.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.97 97.81 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.549 0.613 . . . . 0.0 111.212 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.4 mmm -61.65 -44.25 97.32 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.1 p -81.71 -31.61 32.04 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -86.0 6.08 30.4 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.78 18.06 71.24 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.599 1.095 . . . . 0.0 115.492 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.402 HG13 ' CB ' ' B' ' 38' ' ' GLN . 13.1 t -68.44 149.85 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.465 1.506 . . . . 0.0 112.106 178.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.2 m -63.67 97.58 0.16 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.484 1.114 . . . . 0.0 112.695 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -60.07 -27.99 67.43 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.891 1.676 . . . . 0.0 113.862 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -61.25 -36.77 80.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.302 1.041 . . . . 0.0 113.576 169.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -65.64 -34.56 78.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 118.983 -0.532 . . . . 0.0 111.869 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -56.28 -49.37 74.42 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.744 0.702 . . . . 0.0 110.666 173.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -62.92 -53.16 58.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -61.96 -42.8 99.53 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 117.896 0.316 . . . . 0.0 111.35 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.13 -33.8 75.16 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.593 0.757 . . . . 0.0 112.253 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.32 -54.47 46.47 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.655 0.782 . . . . 0.0 111.054 173.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -69.24 -35.65 76.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 122.984 0.514 . . . . 0.0 112.182 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -55.18 -53.41 56.35 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.872 0.869 . . . . 0.0 112.199 167.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' CB ' HG13 ' B' ' 26' ' ' VAL . 95.5 mm-40 -65.79 -36.97 85.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 118.108 -0.949 . . . . 0.0 112.577 177.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -56.29 -50.69 70.68 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.647 1.567 . . . . 0.0 110.079 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -77.32 -12.73 59.99 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.81 -46.57 8.85 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.623 1.556 . . . . 0.0 113.035 167.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -83.29 -52.4 6.6 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.433 2.293 . . . . 0.0 113.313 -174.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -93.17 -35.04 13.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.087 0.955 . . . . 0.0 112.156 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.2 53.5 8.87 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.61 1.564 . . . . 0.0 112.389 171.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -73.54 49.13 0.28 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.951 2.1 . . . . 0.0 114.848 -170.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.75 138.96 55.28 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.517 1.127 . . . . 0.0 111.527 172.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.894 1.678 . . . . 0.0 112.175 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -80.27 139.83 36.48 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.833 0.853 . . . . 0.0 111.211 167.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -144.92 157.52 44.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.487 1.515 . . . . 0.0 111.43 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -65.22 135.61 55.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.334 1.054 . . . . 0.0 112.196 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -82.68 162.62 21.77 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.416 1.086 . . . . 0.0 112.68 177.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -80.38 163.78 23.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.276 1.03 . . . . 0.0 112.405 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -136.23 54.81 1.88 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.473 1.509 . . . . 0.0 110.96 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.93 -22.02 8.76 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.401 1.476 . . . . 0.0 114.671 -177.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -62.7 154.76 28.42 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.978 1.311 . . . . 0.0 111.62 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.1 tm? -133.21 135.67 45.17 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.049 1.339 . . . . 0.0 110.046 170.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.414 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 6.7 t0 -62.41 137.45 58.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.631 0.772 . . . . 0.0 112.32 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 42.3 t -57.54 -30.53 65.27 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.124 -0.985 . . . . 0.0 112.832 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.63 -26.19 67.84 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.608 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.0 m95 -103.21 -31.59 10.03 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.254 1.022 . . . . 0.0 112.218 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -53.39 -49.15 67.85 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.851 1.26 . . . . 0.0 109.448 169.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -34.79 77.96 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 14' ' ' TRP . 80.8 mt -65.54 -48.62 71.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.534 1.134 . . . . 0.0 111.82 175.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.658 HG22 HD21 ' A' ' 10' ' ' LEU . 11.0 p -66.41 -41.5 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.629 -0.669 . . . . 0.0 112.802 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.627 ' HG2' HD23 ' A' ' 10' ' ' LEU . 16.3 mtm180 -62.65 -41.86 99.28 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.41 -0.807 . . . . 0.0 110.669 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.06 -41.75 84.02 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.589 1.156 . . . . 0.0 112.302 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.44 94.24 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 118.865 0.757 . . . . 0.0 111.405 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.9 mmm -63.05 -42.81 99.8 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 81.8 p -77.92 -28.12 49.6 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.8 t -74.09 -27.3 60.82 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.906 0.775 . . . . 0.0 112.474 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.54 26.6 46.18 Favored Glycine 0 CA--C 1.536 1.402 0 O-C-N 121.379 -0.826 . . . . 0.0 112.841 -169.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.403 HG13 ' CB ' ' A' ' 38' ' ' GLN . 10.3 t -63.08 151.35 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.175 1.79 . . . . 0.0 110.952 173.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 55.7 m -60.96 96.49 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.114 0.966 . . . . 0.0 112.848 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -61.43 -27.67 68.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.633 1.173 . . . . 0.0 113.432 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -66.13 -35.59 80.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.108 1.363 . . . . 0.0 114.202 170.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -67.63 -29.48 68.8 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.226 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.22 -59.34 4.51 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.738 0.699 . . . . 0.0 110.36 173.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.79 -48.31 79.66 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.449 1.1 . . . . 0.0 113.359 -176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -65.2 -41.62 94.35 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 117.995 0.361 . . . . 0.0 111.516 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -68.35 -36.36 79.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.745 0.702 . . . . 0.0 112.249 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -54.74 39.37 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.794 1.238 . . . . 0.0 110.512 174.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.81 -35.45 72.52 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.82 0.848 . . . . 0.0 111.872 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.3 -49.77 71.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.177 0.991 . . . . 0.0 112.324 167.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.402 ' CB ' HG13 ' A' ' 26' ' ' VAL . 82.7 mm-40 -67.7 -39.14 84.41 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.32 0.964 . . . . 0.0 112.739 174.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -55.34 -46.57 76.39 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.63 1.559 . . . . 0.0 109.932 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -81.71 3.83 24.12 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -105.93 -47.71 3.8 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.172 1.389 . . . . 0.0 112.733 165.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.12 -47.73 41.7 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.741 2.016 . . . . 0.0 112.572 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -117.12 -27.93 6.36 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -166.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.16 36.74 27.95 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.35 1.46 . . . . 0.0 113.37 170.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -66.28 140.81 58.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.368 1.467 . . . . 0.0 113.308 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -80.08 -21.06 43.77 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.809 2.044 . . . . 0.0 112.919 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -65.84 152.89 43.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.746 1.218 . . . . 0.0 113.188 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -68.07 -33.98 75.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 70.1 mtm 58.96 18.61 6.37 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.187 1.795 . . . . 0.0 115.476 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -81.57 2.78 27.69 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.322 1.449 . . . . 0.0 113.52 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -154.3 153.78 32.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.251 1.421 . . . . 0.0 111.996 -164.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -147.21 45.96 1.15 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.569 1.147 . . . . 0.0 112.298 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.22 19.51 75.85 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.177 0.894 . . . . 0.0 114.795 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -149.48 127.94 12.27 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.737 1.615 . . . . 0.0 110.956 -170.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' LEU . . . . . 0.738 HD21 HG22 ' D' ' 18' ' ' VAL . 0.9 OUTLIER -71.69 124.87 25.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.678 0.751 . . . . 0.0 110.535 172.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' CD1' ' C' ' 14' ' ' TRP . 10.1 t0 -66.27 140.54 58.14 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.355 1.062 . . . . 0.0 111.167 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 90.1 p -57.88 -28.92 64.62 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.969 -1.082 . . . . 0.0 113.101 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.21 -28.66 69.83 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.751 2.02 . . . . 0.0 114.5 175.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.492 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.0 m95 -100.62 -32.5 10.72 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.372 0.987 . . . . 0.0 112.449 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.16 -47.03 72.41 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.741 1.216 . . . . 0.0 110.03 170.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -31.72 72.72 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.608 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' C' ' 14' ' ' TRP . 61.8 mt -69.69 -46.63 65.6 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.792 1.237 . . . . 0.0 112.015 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.479 HG22 HD21 ' D' ' 10' ' ' LEU . 14.9 p -67.17 -40.95 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 120.26 -0.576 . . . . 0.0 112.004 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 32.1 mtm105 -60.57 -41.77 95.31 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.09 -1.006 . . . . 0.0 111.761 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.96 -40.64 81.08 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.44 1.096 . . . . 0.0 112.564 173.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.02 85.4 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.605 -0.684 . . . . 0.0 110.729 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mmm -61.74 -38.31 87.48 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -81.68 -32.27 31.82 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 14.7 t -77.97 -3.43 41.94 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.17 23.03 76.31 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 120.592 -1.318 . . . . 0.0 113.452 -175.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' VAL . . . . . 0.497 HG13 ' CB ' ' D' ' 38' ' ' GLN . 17.0 t -62.97 145.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.742 1.617 . . . . 0.0 110.136 175.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 58.0 m -57.39 109.01 0.61 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.793 0.837 . . . . 0.0 111.936 -171.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -65.15 -27.21 68.57 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -172.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.0 -39.65 87.17 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.661 0.784 . . . . 0.0 112.639 171.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -59.91 -28.8 67.9 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.306 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -51.2 63.7 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.9 1.227 . . . . 0.0 111.477 173.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -66.54 -47.2 73.61 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.392 0.677 . . . . 0.0 112.692 173.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -63.51 -42.98 98.47 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -32.36 68.45 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.767 1.227 . . . . 0.0 112.724 173.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -54.02 47.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.438 1.017 . . . . 0.0 110.413 166.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.8 -38.53 91.43 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.439 -0.791 . . . . 0.0 112.237 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.34 -51.96 65.06 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.189 1.396 . . . . 0.0 112.241 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' GLN . . . . . 0.472 ' CB ' HG13 ' D' ' 26' ' ' VAL . 90.8 mm-40 -71.57 -40.32 70.03 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.704 -0.622 . . . . 0.0 112.18 176.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -54.11 -39.11 66.11 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.318 0.963 . . . . 0.0 111.25 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -54.86 -26.04 32.71 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 128.0 2.52 . . . . 0.0 114.222 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -117.6 -42.47 2.86 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.413 1.485 . . . . 0.0 113.652 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -72.9 -24.2 60.8 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.311 1.444 . . . . 0.0 113.102 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 42.0 t -129.76 -27.55 2.32 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.587 1.155 . . . . 0.0 113.54 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.01 40.83 11.8 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.067 1.747 . . . . 0.0 113.248 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -61.36 105.23 0.48 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.269 1.027 . . . . 0.0 110.371 166.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -79.07 -25.34 43.12 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.132 0.973 . . . . 0.0 113.269 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 C--O 1.253 1.252 0 C-N-CA 126.847 2.059 . . . . 0.0 112.546 -178.318 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -63.49 150.81 42.92 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.754 1.221 . . . . 0.0 113.323 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -151.45 153.47 34.72 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.273 1.429 . . . . 0.0 112.162 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -15.8 61.04 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.552 1.141 . . . . 0.0 113.531 172.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.03 151.86 45.05 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.121 0.969 . . . . 0.0 112.226 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -70.78 149.74 46.58 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.908 1.283 . . . . 0.0 113.028 -174.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -149.46 64.94 1.01 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.457 1.503 . . . . 0.0 110.84 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.36 -18.47 23.53 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.7 1.143 . . . . 0.0 114.703 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.56 144.88 56.89 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.622 1.569 . . . . 0.0 111.153 165.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 10' ' ' LEU . . . . . 0.653 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? -134.99 137.01 42.61 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.156 1.383 . . . . 0.0 110.123 167.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.404 ' O ' HD13 ' D' ' 10' ' ' LEU . 9.7 t0 -63.76 131.89 49.26 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.022 0.529 . . . . 0.0 111.434 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.9 m -58.64 -24.04 60.32 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.951 -1.093 . . . . 0.0 113.828 -171.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.57 -31.61 72.45 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.206 1.802 . . . . 0.0 114.275 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' TRP . . . . . 0.653 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.4 m95 -95.17 -31.78 13.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.361 0.982 . . . . 0.0 112.23 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -55.51 -47.87 75.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.984 1.714 . . . . 0.0 110.71 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -32.49 74.08 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.405 -0.81 . . . . 0.0 112.955 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' D' ' 14' ' ' TRP . 54.4 mt -69.27 -47.77 63.65 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.712 1.205 . . . . 0.0 112.025 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.738 HG22 HD21 ' C' ' 10' ' ' LEU . 7.8 p -64.48 -40.54 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 O-C-N 121.455 -0.778 . . . . 0.0 112.484 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.606 ' HG2' HD23 ' C' ' 10' ' ' LEU . 76.4 mtm180 -63.48 -41.31 98.58 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.479 -0.763 . . . . 0.0 110.887 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.01 -38.24 75.79 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.554 1.142 . . . . 0.0 112.952 171.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.1 79.73 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 121.367 -0.833 . . . . 0.0 111.176 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.4 mmm -62.15 -40.49 96.14 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 81.4 p -78.26 -35.58 47.94 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 5.8 t -79.91 5.44 13.83 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.49 22.53 76.53 Favored Glycine 0 CA--C 1.537 1.408 0 O-C-N 121.089 -1.007 . . . . 0.0 113.936 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' C' ' 38' ' ' GLN . 40.5 t -65.11 143.93 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.44 1.496 . . . . 0.0 110.743 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 74.1 m -58.24 110.75 1.01 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.817 0.847 . . . . 0.0 112.102 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -65.36 -27.78 68.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -67.64 -42.84 81.63 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 118.592 0.633 . . . . 0.0 111.874 170.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -60.94 -28.33 68.88 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -55.86 21.18 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.998 0.817 . . . . 0.0 111.107 170.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -66.0 -47.36 74.76 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.32 1.048 . . . . 0.0 113.005 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.18 -37.52 87.6 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.39 -34.34 63.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.271 1.028 . . . . 0.0 111.887 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.15 -52.32 59.12 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.659 -0.651 . . . . 0.0 110.378 166.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -65.18 -36.77 85.25 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.295 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -57.9 -48.84 78.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.732 1.213 . . . . 0.0 112.351 174.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' GLN . . . . . 0.497 ' CB ' HG13 ' C' ' 26' ' ' VAL . 95.5 mm-40 -69.47 -42.99 74.12 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.729 -0.607 . . . . 0.0 111.74 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -52.53 -43.43 65.14 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.089 0.859 . . . . 0.0 110.663 173.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -53.59 -21.64 7.03 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 128.533 2.733 . . . . 0.0 114.636 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -129.08 -37.83 1.66 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.853 1.661 . . . . 0.0 113.697 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -75.58 -28.2 58.86 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.129 1.372 . . . . 0.0 113.047 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 92.4 p -133.53 -16.04 2.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.413 1.085 . . . . 0.0 113.696 175.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.263 0.0 OUTLIER 63.83 18.62 11.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.388 2.275 . . . . 0.0 114.403 177.328 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -80.4 145.09 32.17 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.336 -0.853 . . . . 0.0 110.93 158.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -92.52 -1.59 56.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.351 1.06 . . . . 0.0 113.044 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 127.627 2.371 . . . . 0.0 111.223 -170.607 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -154.57 -178.79 7.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.33 1.452 . . . . 0.0 111.586 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -55.42 157.0 4.04 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.309 1.844 . . . . 0.0 113.518 173.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.7 mtm -141.01 157.11 45.79 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.269 1.428 . . . . 0.0 112.189 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -73.18 177.6 4.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.855 1.262 . . . . 0.0 112.409 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.4 t80 68.58 -31.53 0.2 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 128.189 2.596 . . . . 0.0 117.682 170.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.3 t0 49.35 31.53 3.89 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.641 2.377 . . . . 0.0 114.936 171.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.54 18.52 75.59 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.759 1.171 . . . . 0.0 115.993 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -138.57 130.2 27.71 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.359 1.579 . . . . 0.0 112.211 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.641 HD21 HG22 ' B' ' 18' ' ' VAL . 1.1 tm? -69.66 128.07 35.16 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 175.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.3 t0 -66.82 137.62 56.74 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.927 1.291 . . . . 0.0 111.438 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -57.4 -29.08 63.81 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.942 -1.099 . . . . 0.0 112.317 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -60.67 -26.84 67.39 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.806 1.642 . . . . 0.0 115.372 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.486 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.6 m95 -102.63 -32.06 10.07 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.277 0.944 . . . . 0.0 112.575 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.5 -47.27 70.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.27 1.428 . . . . 0.0 110.001 170.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -35.16 79.89 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.499 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 14' ' ' TRP . 77.7 mt -67.63 -50.4 58.22 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.505 1.122 . . . . 0.0 111.688 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.429 HG22 HD21 ' B' ' 10' ' ' LEU . 11.6 p -65.71 -42.26 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.793 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 ttp-105 -61.55 -41.65 97.68 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.415 -0.803 . . . . 0.0 112.143 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.11 -40.72 81.93 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.578 1.151 . . . . 0.0 113.088 171.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HB2' HD21 ' B' ' 35' ' ' LEU . . . -67.09 -41.43 86.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.469 1.031 . . . . 0.0 111.389 176.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.2 mmm -62.71 -40.65 97.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.5 p -80.15 -37.27 33.82 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -84.13 5.81 24.78 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.17 17.81 80.17 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.51 1.052 . . . . 0.0 114.996 173.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 t -64.41 150.27 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.187 1.795 . . . . 0.0 111.762 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -61.21 96.61 0.05 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.842 1.257 . . . . 0.0 112.921 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -62.95 -25.36 68.32 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.498 1.119 . . . . 0.0 113.622 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -64.06 -34.55 78.27 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.076 1.35 . . . . 0.0 114.232 169.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -67.22 -32.33 73.32 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 118.879 -0.582 . . . . 0.0 111.899 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.57 -59.55 4.32 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.392 0.677 . . . . 0.0 110.855 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -61.53 -48.08 82.68 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.227 1.011 . . . . 0.0 113.214 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -65.9 -42.36 90.32 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.71 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -66.39 -36.32 82.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.063 0.847 . . . . 0.0 112.068 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.82 39.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.981 1.312 . . . . 0.0 110.635 174.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -69.3 -35.44 76.0 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.455 0.702 . . . . 0.0 112.281 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -54.33 46.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.669 169.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -64.75 -38.59 91.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.941 1.246 . . . . 0.0 112.584 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -54.75 -47.2 74.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 120.422 1.465 . . . . 0.0 109.912 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -76.67 -30.32 56.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -76.39 -41.29 48.4 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 121.075 1.761 . . . . 0.0 112.338 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -81.6 -50.51 9.26 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.051 2.14 . . . . 0.0 113.287 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 m -109.86 -27.5 9.24 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -171.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . 0.264 0.0 OUTLIER 52.19 62.42 2.71 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.618 1.967 . . . . 0.0 112.598 175.1 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.12 157.97 29.81 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.941 2.096 . . . . 0.0 112.652 -175.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -139.53 154.74 47.73 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.531 1.532 . . . . 0.0 111.606 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.036 1.734 . . . . 0.0 113.242 178.652 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -66.64 150.44 49.05 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.047 0.939 . . . . 0.0 112.946 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -67.97 -25.8 65.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.122 0.969 . . . . 0.0 112.764 169.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 71.9 mtm 61.25 -50.86 0.12 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.159 2.984 . . . . 0.0 115.813 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -64.09 -29.09 70.24 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.586 1.555 . . . . 0.0 112.973 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -106.4 22.44 15.77 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.373 1.869 . . . . 0.0 114.508 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -74.24 53.28 0.5 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.18 1.392 . . . . 0.0 112.068 170.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.34 16.71 48.99 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.641 1.115 . . . . 0.0 115.032 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.54 154.71 41.74 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.31 1.844 . . . . 0.0 110.964 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' B' ' 14' ' ' TRP . 2.7 tm? -135.1 137.71 43.1 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.989 1.315 . . . . 0.0 111.687 -173.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -63.79 139.61 58.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.857 0.863 . . . . 0.0 112.548 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -58.69 -30.16 67.18 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.796 -1.19 . . . . 0.0 113.611 -175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -64.33 -25.45 68.04 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.281 1.832 . . . . 0.0 114.837 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.606 ' HB2' HD11 ' B' ' 10' ' ' LEU . 1.8 m95 -103.5 -31.05 10.15 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.146 0.978 . . . . 0.0 112.311 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.68 -49.35 68.18 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.287 1.035 . . . . 0.0 109.013 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -34.37 75.83 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' B' ' 14' ' ' TRP . 67.7 mt -67.03 -48.36 68.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.009 1.324 . . . . 0.0 112.265 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.641 HG22 HD21 ' A' ' 10' ' ' LEU . 14.6 p -66.57 -41.83 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.428 -0.795 . . . . 0.0 112.446 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.576 ' HG2' HD23 ' A' ' 10' ' ' LEU . 13.5 mtm105 -65.91 -39.01 90.18 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.405 -0.809 . . . . 0.0 110.714 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.99 -45.79 86.23 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.014 0.926 . . . . 0.0 112.37 170.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.05 99.47 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.664 0.665 . . . . 0.0 111.711 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 2.6 mmm -62.93 -43.46 98.75 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 47.3 p -81.78 -31.62 31.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -86.9 4.24 42.25 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.88 21.49 59.34 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.45 1.024 . . . . 0.0 115.554 174.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 25.2 t -72.74 150.09 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.816 1.246 . . . . 0.0 112.127 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 51.0 m -59.16 102.23 0.12 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.948 1.299 . . . . 0.0 112.956 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -59.48 -33.81 71.8 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.067 1.347 . . . . 0.0 113.169 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -64.44 -36.21 83.43 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.045 1.338 . . . . 0.0 113.789 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -64.6 -33.41 75.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 118.828 -0.606 . . . . 0.0 111.87 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.44 -48.62 78.66 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.769 0.713 . . . . 0.0 110.715 173.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.404 ' HA ' HD22 ' A' ' 17' ' ' LEU . 12.1 tpt180 -63.62 -52.46 60.74 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -63.22 -40.64 98.03 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 117.857 0.299 . . . . 0.0 111.579 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -70.0 -32.96 71.4 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.666 -0.646 . . . . 0.0 112.323 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -57.69 -53.56 56.8 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.851 0.75 . . . . 0.0 110.909 172.796 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.24 -37.71 86.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.606 0.762 . . . . 0.0 112.035 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.64 -52.61 64.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.664 0.785 . . . . 0.0 112.806 171.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.73 -39.99 95.82 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.432 1.014 . . . . 0.0 111.663 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -56.77 -51.5 68.66 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.887 1.221 . . . . 0.0 111.025 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -78.69 -3.6 44.92 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -48.0 4.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.603 1.161 . . . . 0.0 112.616 164.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -43.97 16.0 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.21 1.804 . . . . 0.0 113.623 -169.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.4 t -98.17 -30.19 12.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.442 1.097 . . . . 0.0 111.86 173.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.79 51.52 7.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.64 1.576 . . . . 0.0 111.859 174.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -67.88 93.73 0.42 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.71 2.004 . . . . 0.0 111.792 -169.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -67.81 -24.44 65.3 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.254 1.332 0 C-N-CA 126.479 1.911 . . . . 0.0 112.399 -179.316 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.929 -0.468 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -63.46 139.4 58.77 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.956 0.902 . . . . 0.0 112.235 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -155.52 155.14 32.9 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.307 1.443 . . . . 0.0 112.036 -175.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 32.0 tpp -82.45 143.52 31.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.36 1.064 . . . . 0.0 113.302 -174.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -141.19 149.05 40.92 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.083 1.753 . . . . 0.0 109.587 166.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 61.66 -3.12 0.23 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 52.3 23.12 2.26 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 128.083 2.553 . . . . 0.0 115.525 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.83 1.51 47.25 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.43 1.014 . . . . 0.0 114.979 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -81.87 165.06 21.15 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.647 1.579 . . . . 0.0 111.055 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' C' ' 14' ' ' TRP . 2.5 tm? -127.45 141.21 51.73 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.758 1.223 . . . . 0.0 111.295 169.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.419 ' HB3' ' CD1' ' C' ' 14' ' ' TRP . 6.8 t0 -66.72 138.23 57.25 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.384 0.674 . . . . 0.0 112.065 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -58.31 -28.37 64.97 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.894 -1.128 . . . . 0.0 113.552 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.22 -24.04 65.79 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.126 1.77 . . . . 0.0 114.808 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.601 ' HB2' HD11 ' C' ' 10' ' ' LEU . 2.1 m95 -103.45 -32.06 9.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.936 0.894 . . . . 0.0 112.731 176.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.01 -46.1 68.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.419 1.487 . . . . 0.0 109.892 170.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -34.82 78.83 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.224 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' C' ' 14' ' ' TRP . 65.6 mt -69.14 -48.05 63.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.881 1.273 . . . . 0.0 111.985 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.18 -41.57 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 O-C-N 121.723 -0.611 . . . . 0.0 112.169 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -63.67 -39.68 94.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.734 1.213 . . . . 0.0 112.987 174.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -61.12 -40.62 94.48 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.751 1.22 . . . . 0.0 113.098 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.6 -48.28 75.51 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.477 -0.764 . . . . 0.0 111.665 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 6.3 mmm -57.37 -44.98 84.85 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.709 0.403 . . . . 0.0 111.999 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 44.2 p -77.73 -30.76 51.82 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 3.6 t -84.83 7.86 19.34 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.88 22.16 78.41 Favored Glycine 0 CA--C 1.535 1.331 0 O-C-N 121.072 -1.017 . . . . 0.0 114.906 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' VAL . . . . . 0.474 HG13 ' CB ' ' D' ' 38' ' ' GLN . 25.0 t -66.46 147.04 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.306 1.443 . . . . 0.0 111.071 175.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 68.3 m -58.19 111.58 1.25 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.971 0.908 . . . . 0.0 112.405 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -62.27 -31.1 71.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.491 1.117 . . . . 0.0 113.341 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -69.28 -37.06 77.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.092 0.957 . . . . 0.0 113.358 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -63.1 -29.38 70.75 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.157 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.91 -49.1 76.62 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 119.233 0.924 . . . . 0.0 111.406 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -64.91 -47.01 79.3 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 171.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.02 -37.26 87.04 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -30.29 56.93 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.699 1.136 . . . . 0.0 112.079 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -50.94 65.7 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.509 -0.744 . . . . 0.0 109.772 165.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.69 -44.62 95.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.002 0.921 . . . . 0.0 111.955 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -52.98 -48.17 67.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.415 1.486 . . . . 0.0 112.113 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' GLN . . . . . 0.438 ' CB ' HG13 ' D' ' 26' ' ' VAL . 86.8 mm-40 -73.02 -43.13 62.47 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.662 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -54.61 -40.43 68.89 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.971 1.26 . . . . 0.0 111.516 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -54.06 -29.75 45.42 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.141 2.576 . . . . 0.0 113.728 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -116.89 -38.87 3.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.114 1.365 . . . . 0.0 113.874 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -74.22 -26.0 59.99 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.182 1.393 . . . . 0.0 113.184 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -131.43 -28.86 1.83 Allowed 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.83 64.16 1.49 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.924 1.69 . . . . 0.0 111.932 175.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -59.8 -35.66 75.13 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.81 1.244 . . . . 0.0 113.717 -166.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 58.23 27.12 14.71 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.202 1.801 . . . . 0.0 114.7 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.952 2.101 . . . . 0.0 112.176 -178.075 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -71.09 163.42 27.64 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.701 1.2 . . . . 0.0 113.115 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -148.63 166.95 26.78 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.309 1.444 . . . . 0.0 111.447 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -61.63 147.2 46.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.97 1.308 . . . . 0.0 112.906 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -139.15 151.02 46.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.041 1.736 . . . . 0.0 110.814 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -128.9 166.57 18.85 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.645 1.578 . . . . 0.0 112.217 -172.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 -118.16 13.88 13.86 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.462 1.905 . . . . 0.0 113.618 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.06 -24.53 6.29 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 126.269 1.89 . . . . 0.0 113.404 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.62 147.47 37.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.855 1.262 . . . . 0.0 111.664 169.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? -125.03 138.52 54.21 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.416 1.086 . . . . 0.0 110.653 162.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 7.1 t0 -63.85 135.93 56.98 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.926 0.89 . . . . 0.0 112.187 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 46.8 t -56.55 -29.38 61.9 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.88 -1.138 . . . . 0.0 112.614 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -64.18 -22.99 67.15 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' TRP . . . . . 0.584 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.0 m95 -106.54 -31.82 8.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.354 1.062 . . . . 0.0 112.761 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -51.93 -45.54 64.35 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.404 1.481 . . . . 0.0 110.041 168.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -36.19 82.81 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.325 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.87 -48.29 66.5 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.852 1.261 . . . . 0.0 111.79 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.403 HG22 HD21 ' C' ' 10' ' ' LEU . 8.7 p -66.56 -41.32 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.859 -0.526 . . . . 0.0 112.219 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -64.37 -39.4 93.8 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.975 -1.078 . . . . 0.0 112.981 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -59.61 -41.29 90.02 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.962 1.305 . . . . 0.0 112.594 170.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.57 73.96 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.627 -0.671 . . . . 0.0 112.148 174.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 5.3 mmm -58.55 -40.08 82.02 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.932 0.493 . . . . 0.0 112.107 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 41.4 p -79.94 -32.76 40.03 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -83.07 7.96 14.33 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.68 21.92 79.33 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 120.991 -1.068 . . . . 0.0 114.649 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' VAL . . . . . 0.438 HG13 ' CB ' ' C' ' 38' ' ' GLN . 19.9 t -64.27 146.81 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.921 1.289 . . . . 0.0 111.126 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 71.8 m -56.82 112.34 1.28 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.306 1.042 . . . . 0.0 111.738 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -64.07 -26.89 68.75 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -70.74 -37.56 73.48 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.631 0.772 . . . . 0.0 112.639 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -59.56 -28.17 66.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.976 0.807 . . . . 0.0 112.832 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.81 -57.36 11.88 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.752 -0.642 . . . . 0.0 111.336 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -63.85 -45.1 91.01 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.37 -41.24 96.82 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.528 0.604 . . . . 0.0 111.74 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -73.23 -36.78 66.52 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.201 0.6 . . . . 0.0 112.298 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -52.79 59.67 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.122 0.569 . . . . 0.0 110.401 171.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -63.25 -41.15 99.03 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 118.634 -0.698 . . . . 0.0 111.52 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -56.57 -44.68 81.22 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.013 0.925 . . . . 0.0 112.768 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' GLN . . . . . 0.474 ' CB ' HG13 ' C' ' 26' ' ' VAL . 92.5 mm-40 -72.38 -40.99 66.84 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.121 -0.987 . . . . 0.0 112.723 173.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -55.77 -41.94 74.78 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.876 1.216 . . . . 0.0 110.815 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -54.1 -31.29 51.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 128.029 2.532 . . . . 0.0 113.327 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -107.77 -42.04 4.84 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.908 1.683 . . . . 0.0 113.869 -175.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -82.46 -28.81 31.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.191 1.796 . . . . 0.0 113.218 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -122.15 -33.64 3.47 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.864 1.266 . . . . 0.0 112.884 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.0 32.79 19.89 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.924 1.69 . . . . 0.0 113.592 173.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -62.71 -29.08 70.39 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.528 1.131 . . . . 0.0 111.893 168.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -73.96 59.9 0.73 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 128.592 2.757 . . . . 0.0 111.832 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.905 1.682 . . . . 0.0 113.801 178.452 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.481 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -65.85 148.95 50.97 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.506 1.122 . . . . 0.0 113.205 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -68.35 146.0 53.66 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.222 1.009 . . . . 0.0 111.79 175.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.2 157.05 32.39 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.692 1.197 . . . . 0.0 112.488 174.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.57 -35.82 82.22 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -129.91 143.21 50.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.739 2.016 . . . . 0.0 111.61 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -91.51 46.76 1.31 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.418 1.487 . . . . 0.0 111.868 171.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.12 -4.81 69.33 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.797 1.189 . . . . 0.0 115.816 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -76.71 162.32 27.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.46 1.504 . . . . 0.0 111.717 171.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 14' ' ' TRP . 2.5 tm? -129.38 141.85 50.96 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.173 1.389 . . . . 0.0 111.795 168.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 7.4 t0 -68.0 138.37 55.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.802 0.841 . . . . 0.0 112.444 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.8 t -55.93 -30.24 61.34 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.879 -1.138 . . . . 0.0 112.868 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -63.43 -25.44 68.28 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.592 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.3 m95 -105.29 -30.05 9.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.463 1.105 . . . . 0.0 112.209 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -53.35 -49.05 67.93 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.602 1.161 . . . . 0.0 109.155 169.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -36.15 79.83 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.838 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.49 -48.07 71.01 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.151 1.381 . . . . 0.0 111.959 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.636 HG22 HD21 ' B' ' 10' ' ' LEU . 14.5 p -66.89 -43.01 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.604 ' HG2' HD23 ' B' ' 10' ' ' LEU . 12.7 mtm105 -62.89 -41.66 99.5 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.51 -0.744 . . . . 0.0 110.024 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.07 -40.93 82.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.489 1.116 . . . . 0.0 113.207 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.7 91.04 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.454 1.024 . . . . 0.0 111.086 177.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mmm -64.66 -42.2 95.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.8 p -81.46 -34.0 31.68 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 t -84.92 8.23 18.29 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.09 18.96 78.2 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.489 1.042 . . . . 0.0 115.072 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.34 150.33 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.787 1.635 . . . . 0.0 111.699 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.8 m -57.62 101.55 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.723 1.209 . . . . 0.0 112.909 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -61.99 -28.87 69.87 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.969 1.307 . . . . 0.0 113.37 -177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.35 -34.93 79.08 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.118 1.367 . . . . 0.0 114.431 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -63.71 -31.86 73.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.144 0.429 . . . . 0.0 111.867 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -57.64 11.47 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.443 0.565 . . . . 0.0 110.868 177.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.49 -50.77 68.36 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.874 0.869 . . . . 0.0 113.103 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -62.27 -44.74 95.83 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 119.252 -0.404 . . . . 0.0 111.319 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -68.34 -32.53 72.7 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.21 0.914 . . . . 0.0 112.311 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' B' ' 21' ' ' ALA . 0.2 OUTLIER -56.4 -56.42 21.35 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.542 0.737 . . . . 0.0 111.645 172.269 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.89 -32.35 69.3 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.738 0.415 . . . . 0.0 112.014 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -56.74 -52.04 66.51 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.218 1.007 . . . . 0.0 112.599 167.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -65.76 -39.46 91.08 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.19 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -55.29 -49.94 70.83 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 120.052 1.296 . . . . 0.0 110.024 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -78.04 -0.99 30.11 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -46.03 4.22 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.863 1.665 . . . . 0.0 112.136 168.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.97 -48.46 13.33 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.32 2.248 . . . . 0.0 113.269 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -97.58 -36.42 10.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.141 0.976 . . . . 0.0 112.265 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.11 33.36 23.09 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.117 1.367 . . . . 0.0 112.383 -177.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -64.76 136.68 57.19 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.769 1.627 . . . . 0.0 112.86 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -78.76 -16.34 57.31 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.109 2.164 . . . . 0.0 111.978 179.729 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -66.16 151.74 46.3 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.577 1.151 . . . . 0.0 113.305 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.9 162.81 28.65 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.551 1.14 . . . . 0.0 112.971 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -148.3 155.26 41.09 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.717 1.607 . . . . 0.0 111.877 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.91 -12.04 59.76 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -153.69 143.52 21.91 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.842 1.257 . . . . 0.0 112.306 -176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -140.26 11.37 2.36 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.787 1.235 . . . . 0.0 114.225 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.79 -33.15 5.34 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 126.24 1.876 . . . . 0.0 113.267 -173.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.88 129.25 34.35 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.704 1.201 . . . . 0.0 111.774 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.636 HD21 HG22 ' A' ' 18' ' ' VAL . 1.4 tm? -73.8 125.82 28.99 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.213 0.53 . . . . 0.0 111.11 171.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -64.98 132.34 49.0 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.966 0.906 . . . . 0.0 110.864 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -58.81 -24.69 62.28 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.923 -1.111 . . . . 0.0 113.333 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.31 -28.12 68.98 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.619 1.968 . . . . 0.0 114.682 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.549 ' HB2' HD11 ' B' ' 10' ' ' LEU . 3.7 m95 -98.64 -32.58 11.34 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.404 1.002 . . . . 0.0 112.671 177.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -55.02 -46.9 75.28 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.25 1.42 . . . . 0.0 110.303 171.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -31.69 73.0 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 118.486 -0.769 . . . . 0.0 112.824 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' B' ' 14' ' ' TRP . 56.3 mt -70.63 -50.01 41.41 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.584 1.154 . . . . 0.0 111.789 176.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.42 -40.82 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.823 -0.548 . . . . 0.0 111.739 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -65.35 -37.76 88.02 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.178 -0.951 . . . . 0.0 112.418 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.93 -41.02 81.84 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.675 0.79 . . . . 0.0 111.948 168.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -68.2 -44.53 75.63 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.927 1.24 . . . . 0.0 111.574 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 8.6 mmm -62.02 -40.81 96.97 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 76.1 p -84.18 -30.74 25.56 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -88.31 7.98 29.67 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.19 24.17 72.05 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.214 0.911 . . . . 0.0 114.91 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.0 t -74.61 153.79 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.512 1.525 . . . . 0.0 112.098 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 46.2 m -65.54 89.93 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.636 1.174 . . . . 0.0 112.866 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -23.24 66.8 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -62.58 -37.77 87.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.167 0.987 . . . . 0.0 113.317 168.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -64.53 -35.02 79.6 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 119.17 -0.443 . . . . 0.0 111.036 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -49.61 75.76 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.758 0.708 . . . . 0.0 111.493 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.07 -52.24 56.79 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -62.88 -42.32 99.73 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 117.603 0.183 . . . . 0.0 111.35 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -69.34 -32.66 71.88 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.333 1.053 . . . . 0.0 112.46 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -56.73 17.63 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.947 0.794 . . . . 0.0 110.452 171.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -67.81 -33.79 75.47 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.07 0.548 . . . . 0.0 112.027 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -56.93 -54.47 46.2 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.041 0.936 . . . . 0.0 112.733 167.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -65.15 -37.58 87.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.299 0.954 . . . . 0.0 112.194 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -56.21 -49.97 72.58 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.921 1.237 . . . . 0.0 110.693 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -77.19 -2.1 32.81 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -47.47 4.48 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.844 1.657 . . . . 0.0 112.207 170.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.46 -56.49 4.58 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.531 1.933 . . . . 0.0 112.561 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.3 t -91.11 -34.48 15.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.036 0.934 . . . . 0.0 112.195 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.0 35.97 25.71 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.68 1.192 . . . . 0.0 111.881 176.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -71.83 -35.12 69.81 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 -163.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 54.27 36.99 26.48 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.009 1.324 . . . . 0.0 114.533 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.571 1.548 . . . . 0.0 113.676 176.095 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -74.27 -18.75 60.68 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -69.65 153.17 43.81 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.436 1.094 . . . . 0.0 113.091 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -68.27 147.74 51.77 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.92 1.288 . . . . 0.0 112.743 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -84.61 -7.43 59.25 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -148.89 142.23 25.16 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.77 1.628 . . . . 0.0 110.83 -173.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -146.41 59.54 1.22 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.205 1.002 . . . . 0.0 112.206 -173.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.56 18.41 73.73 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.314 0.959 . . . . 0.0 115.274 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -148.26 125.98 11.85 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.464 1.506 . . . . 0.0 110.936 -171.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' LEU . . . . . 0.722 HD21 HG22 ' D' ' 18' ' ' VAL . 1.1 tm? -72.87 130.68 40.96 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.448 0.642 . . . . 0.0 111.457 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -69.0 132.33 46.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.031 0.932 . . . . 0.0 110.623 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 18.5 m -57.82 -24.85 59.31 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.934 -1.104 . . . . 0.0 113.534 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.96 -27.12 69.18 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.196 1.798 . . . . 0.0 114.745 173.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.538 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.0 m95 -98.46 -32.41 11.5 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.02 0.928 . . . . 0.0 112.738 176.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -54.21 -47.44 72.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.726 1.21 . . . . 0.0 110.072 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -33.14 75.19 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.187 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' C' ' 14' ' ' TRP . 67.4 mt -69.54 -47.42 63.76 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.108 1.363 . . . . 0.0 111.934 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.483 HG22 HD21 ' D' ' 10' ' ' LEU . 14.8 p -67.02 -40.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.79 -0.569 . . . . 0.0 112.033 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.415 ' HG2' HD23 ' D' ' 10' ' ' LEU . 32.9 mtm105 -60.55 -43.89 96.73 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.305 -0.872 . . . . 0.0 111.288 171.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.81 -38.66 75.94 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.062 0.945 . . . . 0.0 112.931 172.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.8 80.95 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.111 -0.993 . . . . 0.0 111.137 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 2.4 mmm -62.05 -35.82 79.77 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 82.4 p -89.07 -32.7 17.43 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.725 1.379 . . . . 0.0 114.725 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -85.59 8.36 19.72 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.9 19.69 79.81 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.498 1.047 . . . . 0.0 114.684 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' VAL . . . . . 0.459 HG13 ' CB ' ' D' ' 38' ' ' GLN . 32.3 t -67.12 147.11 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 126.041 1.736 . . . . 0.0 111.588 -178.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 58.9 m -58.92 111.76 1.41 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.996 0.918 . . . . 0.0 112.123 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -65.93 -31.67 72.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.347 0.659 . . . . 0.0 112.546 -174.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -65.77 -37.33 86.05 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.821 0.848 . . . . 0.0 113.18 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -62.77 -29.24 70.54 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -55.94 27.87 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.163 0.892 . . . . 0.0 110.904 173.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -65.14 -49.8 68.48 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.535 0.734 . . . . 0.0 112.818 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -65.69 -37.15 85.66 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -73.43 -32.32 64.33 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.567 1.076 . . . . 0.0 112.229 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -54.67 40.58 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.625 -0.672 . . . . 0.0 110.173 167.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -60.36 -38.19 83.05 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.572 -0.727 . . . . 0.0 111.78 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -59.87 -49.77 76.4 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.1 1.36 . . . . 0.0 113.36 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' GLN . . . . . 0.413 ' CB ' HG13 ' D' ' 26' ' ' VAL . 83.4 mm-40 -70.53 -40.66 73.32 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.167 -0.958 . . . . 0.0 111.786 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -53.78 -39.24 65.26 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.288 1.035 . . . . 0.0 111.249 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -53.76 -25.44 18.88 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 128.603 2.761 . . . . 0.0 114.494 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -126.54 -36.45 2.26 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.045 1.338 . . . . 0.0 113.007 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -39.65 81.28 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.755 0.822 . . . . 0.0 112.492 170.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -127.81 -22.85 3.48 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -172.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.46 29.16 17.09 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.16 1.784 . . . . 0.0 114.515 170.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.42 46.71 0.35 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.907 1.683 . . . . 0.0 113.979 176.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -67.72 -24.44 65.37 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.63 1.972 . . . . 0.0 113.476 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.69 1.996 . . . . 0.0 112.77 177.513 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -71.76 159.46 34.3 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.622 1.169 . . . . 0.0 112.92 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.23 136.44 56.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.934 0.894 . . . . 0.0 111.67 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 29.7 tpp -134.44 -4.62 2.62 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -169.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -79.09 171.85 14.62 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.149 -0.969 . . . . 0.0 112.31 175.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -67.69 150.61 48.5 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 122.022 0.915 . . . . 0.0 112.693 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -140.15 17.29 2.44 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.358 1.863 . . . . 0.0 112.614 -174.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.37 -21.79 5.39 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 126.171 1.843 . . . . 0.0 112.953 -168.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -57.28 147.15 26.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.151 1.38 . . . . 0.0 112.081 166.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' D' ' 14' ' ' TRP . 3.1 tm? -147.04 134.02 20.28 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.481 1.112 . . . . 0.0 110.279 160.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.416 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 8.4 t0 -61.08 139.27 58.12 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.42 0.629 . . . . 0.0 112.357 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -56.33 -28.65 59.66 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.041 -1.037 . . . . 0.0 113.602 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.03 -25.5 67.09 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.008 1.723 . . . . 0.0 115.051 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' TRP . . . . . 0.582 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.7 m95 -102.47 -32.06 10.15 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.1 0.96 . . . . 0.0 112.184 177.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.26 -47.88 71.79 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.415 1.486 . . . . 0.0 110.347 170.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -36.16 79.84 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 118.874 -0.584 . . . . 0.0 112.1 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' D' ' 14' ' ' TRP . 68.0 mt -68.34 -48.03 65.93 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.963 1.305 . . . . 0.0 112.227 178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.722 HG22 HD21 ' C' ' 10' ' ' LEU . 9.4 p -65.52 -41.69 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.751 -0.593 . . . . 0.0 112.323 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.667 ' HG2' HD23 ' C' ' 10' ' ' LEU . 76.9 mtm180 -64.85 -39.96 94.38 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.519 -0.738 . . . . 0.0 110.554 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.04 -40.32 80.61 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.52 1.128 . . . . 0.0 113.01 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.35 89.46 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.995 0.816 . . . . 0.0 110.976 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mmm -62.23 -40.78 97.28 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p -80.38 -32.07 37.68 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 4.0 t -83.42 7.3 17.24 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.74 18.09 75.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.59 1.09 . . . . 0.0 114.434 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' VAL . . . . . 0.413 HG13 ' CB ' ' C' ' 38' ' ' GLN . 41.4 t -64.93 145.49 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.542 1.537 . . . . 0.0 111.203 -177.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 43.6 m -56.82 106.55 0.31 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.671 1.189 . . . . 0.0 112.42 -174.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -64.51 -27.94 69.32 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -66.64 -37.42 84.79 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.841 0.856 . . . . 0.0 113.141 172.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.86 -29.01 70.25 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.894 -0.574 . . . . 0.0 112.383 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -55.89 27.27 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.235 0.925 . . . . 0.0 110.897 172.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ARG . . . . . 0.421 ' HA ' HD22 ' C' ' 17' ' ' LEU . 4.1 tpt180 -65.81 -49.4 68.4 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.621 0.769 . . . . 0.0 112.927 178.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -67.26 -35.93 80.53 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -74.74 -31.41 61.8 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.603 1.092 . . . . 0.0 112.126 174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -52.51 61.63 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.51 -0.744 . . . . 0.0 110.049 166.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.77 -40.24 91.79 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.307 -0.854 . . . . 0.0 112.002 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -59.71 -45.27 92.64 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.078 1.351 . . . . 0.0 113.746 176.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' GLN . . . . . 0.459 ' CB ' HG13 ' C' ' 26' ' ' VAL . 94.7 mm-40 -71.17 -45.16 64.06 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.301 -0.874 . . . . 0.0 111.276 175.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -53.29 -36.3 61.06 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.295 173.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -53.99 -25.12 19.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 129.73 3.212 . . . . 0.0 114.787 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -126.36 -38.94 2.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.642 1.577 . . . . 0.0 112.696 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -35.45 81.06 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.131 0.972 . . . . 0.0 112.092 175.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -129.64 -24.05 2.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.95 19.59 11.82 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.936 1.694 . . . . 0.0 113.963 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -74.91 -29.48 60.98 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.506 1.523 . . . . 0.0 114.617 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 61.18 5.17 1.01 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 127.173 2.189 . . . . 0.0 116.096 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 . . . . . 0 N--CA 1.481 1.1 0 C-N-CA 127.521 2.328 . . . . 0.0 111.639 175.244 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.62 HD21 HG22 ' B' ' 18' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.638 0.732 . . . . 0.0 111.185 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 10.2 t0 -66.7 138.98 57.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.107 1.363 . . . . 0.0 111.519 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 t -57.08 -29.29 63.34 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.013 -1.054 . . . . 0.0 112.482 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.43 -29.43 69.94 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.425 1.49 . . . . 0.0 114.952 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.519 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.1 m95 -99.68 -31.82 11.37 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.168 0.895 . . . . 0.0 112.114 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -53.48 -47.63 69.62 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.193 1.397 . . . . 0.0 109.628 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -33.01 74.75 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 118.52 -0.752 . . . . 0.0 112.657 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 14' ' ' TRP . 66.8 mt -67.77 -46.21 72.68 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.586 1.154 . . . . 0.0 111.802 175.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.465 HG22 HD21 ' B' ' 10' ' ' LEU . 14.4 p -69.59 -42.74 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.486 ' HG2' HD23 ' B' ' 10' ' ' LEU . 35.0 mtm105 -58.82 -42.67 89.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.56 1.144 . . . . 0.0 111.583 171.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.37 -42.75 87.68 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.453 1.101 . . . . 0.0 112.842 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.42 99.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.752 0.706 . . . . 0.0 110.986 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -63.0 -42.36 99.83 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.4 p -77.73 -29.66 51.26 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -73.2 -24.77 60.56 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.485 0.714 . . . . 0.0 112.358 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.96 25.12 56.61 Favored Glycine 0 CA--C 1.536 1.374 0 O-C-N 121.38 -0.825 . . . . 0.0 112.666 -170.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.2 t -62.52 147.08 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.537 1.535 . . . . 0.0 110.516 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.8 m -60.44 99.26 0.08 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.6 1.16 . . . . 0.0 112.488 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -63.37 -24.76 67.99 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.4 1.08 . . . . 0.0 113.479 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -64.88 -36.83 85.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.839 1.256 . . . . 0.0 114.17 168.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -64.66 -32.13 73.66 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.982 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.29 -55.58 26.9 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.574 0.625 . . . . 0.0 110.534 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.87 -49.83 71.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.019 0.928 . . . . 0.0 113.162 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -62.05 -44.53 96.48 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 117.691 0.223 . . . . 0.0 111.555 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -68.24 -33.06 73.7 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.55 0.74 . . . . 0.0 112.33 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -57.77 10.72 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.038 0.935 . . . . 0.0 111.024 171.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -67.62 -34.4 76.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.7 0.4 . . . . 0.0 111.779 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -56.47 -53.2 60.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.083 0.953 . . . . 0.0 112.717 169.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -67.34 -37.38 83.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.22 0.918 . . . . 0.0 112.67 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -55.93 -48.54 75.53 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.318 1.417 . . . . 0.0 110.643 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -78.41 -0.42 29.14 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.5 -45.54 4.82 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.232 1.413 . . . . 0.0 112.533 168.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -82.47 -47.13 12.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.66 2.384 . . . . 0.0 113.44 -176.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.1 t -99.91 -41.93 7.0 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.118 0.967 . . . . 0.0 112.323 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.94 0 C-N-CA 125.017 1.327 . . . . 0.0 112.965 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.3 tm? . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 120.439 0.161 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.404 ' O ' HD13 ' B' ' 10' ' ' LEU . 9.6 t0 -66.7 140.35 57.88 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.493 0.664 . . . . 0.0 112.141 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 90.3 p -59.79 -26.3 65.63 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 120.706 -1.246 . . . . 0.0 114.162 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -68.78 -29.92 68.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.364 1.866 . . . . 0.0 114.023 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.635 ' HB2' HD11 ' B' ' 10' ' ' LEU . 1.8 m95 -97.49 -30.58 12.81 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.183 0.901 . . . . 0.0 111.778 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -53.65 -50.16 66.36 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.687 1.595 . . . . 0.0 109.89 172.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -31.67 72.99 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' B' ' 14' ' ' TRP . 70.9 mt -69.77 -47.81 61.6 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.23 . . . . 0.0 112.019 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.62 HG22 HD21 ' A' ' 10' ' ' LEU . 11.6 p -65.61 -41.87 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.673 -0.642 . . . . 0.0 112.14 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -63.53 -41.84 98.45 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.684 -0.635 . . . . 0.0 110.083 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.57 -42.81 83.84 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.659 1.184 . . . . 0.0 112.289 171.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.47 96.02 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.262 0.937 . . . . 0.0 111.23 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -62.75 -42.49 99.7 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 77.1 p -86.93 -28.77 22.56 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -88.34 8.39 27.8 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.75 22.48 72.08 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.567 1.08 . . . . 0.0 114.958 173.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 43.0 t -73.06 148.47 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.97 1.308 . . . . 0.0 111.706 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m -58.92 104.13 0.21 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.866 1.266 . . . . 0.0 112.998 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -58.95 -33.26 70.41 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.023 1.329 . . . . 0.0 113.127 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.41 -34.75 77.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.244 1.418 . . . . 0.0 114.151 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -65.9 -31.17 71.96 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.907 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.37 -54.62 41.39 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.23 0.612 . . . . 0.0 110.947 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -64.95 -49.8 68.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.766 0.826 . . . . 0.0 112.917 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -66.11 -37.61 86.15 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -70.03 -33.92 72.6 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.013 0.824 . . . . 0.0 111.692 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -54.15 49.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.4 0.68 . . . . 0.0 110.445 169.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -61.41 -41.98 98.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.347 0.659 . . . . 0.0 111.865 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -56.51 19.27 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.609 0.764 . . . . 0.0 111.71 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -65.41 -37.45 87.0 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.448 1.022 . . . . 0.0 112.42 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -55.17 -49.7 71.18 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.052 1.296 . . . . 0.0 110.326 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -80.44 -4.04 52.18 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -46.75 5.19 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.081 1.31 . . . . 0.0 112.59 166.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -77.19 -48.33 17.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.739 2.016 . . . . 0.0 113.106 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -98.64 -30.52 12.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.964 0.906 . . . . 0.0 112.267 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 125.64 1.576 . . . . 0.0 111.849 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' LEU . . . . . 0.748 HD21 HG22 ' D' ' 18' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 121.969 0.89 . . . . 0.0 109.997 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -85.0 20.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -153.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.6 t 64.2 -35.77 0.17 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 130.039 3.336 . . . . 0.0 115.119 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.64 -26.02 67.62 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.503 1.921 . . . . 0.0 112.506 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.8 m95 -97.15 -32.02 12.16 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.371 1.068 . . . . 0.0 112.326 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.88 -47.47 80.39 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.156 1.783 . . . . 0.0 110.182 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -33.06 74.66 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.09 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' C' ' 14' ' ' TRP . 52.6 mt -70.5 -49.81 44.48 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.946 1.298 . . . . 0.0 112.384 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.48 -42.45 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.527 -0.733 . . . . 0.0 111.839 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -62.41 -42.68 99.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.516 1.126 . . . . 0.0 112.546 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -58.23 -41.04 83.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.062 1.345 . . . . 0.0 113.357 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.22 81.78 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.577 -0.702 . . . . 0.0 111.171 174.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 6.2 mmm -58.39 -40.53 82.61 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 73.6 p -78.98 -31.7 44.99 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.7 t -81.72 5.45 18.42 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.34 20.65 79.57 Favored Glycine 0 CA--C 1.536 1.38 0 O-C-N 121.358 -0.839 . . . . 0.0 114.379 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . 0.498 HG13 ' CB ' ' D' ' 38' ' ' GLN . 25.2 t -65.01 144.93 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.983 1.313 . . . . 0.0 110.741 175.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 70.5 m -59.12 111.19 1.24 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.016 0.927 . . . . 0.0 112.186 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -61.55 -29.21 69.86 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -174.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -69.8 -34.36 73.61 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.84 0.856 . . . . 0.0 112.889 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -63.38 -30.6 71.7 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 117.775 -1.107 . . . . 0.0 111.782 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -59.19 -45.21 91.67 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.859 1.209 . . . . 0.0 111.859 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -64.53 -47.14 79.95 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.795 0.725 . . . . 0.0 112.472 171.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -65.09 -39.43 93.17 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.38 -40.34 93.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.481 1.513 . . . . 0.0 111.52 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -53.82 51.72 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 117.944 0.338 . . . . 0.0 110.739 171.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -62.06 -42.01 98.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.438 0.695 . . . . 0.0 112.248 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.46 -46.58 83.48 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.058 1.743 . . . . 0.0 112.918 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -74.52 -40.33 61.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.366 0.985 . . . . 0.0 112.578 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -54.32 -34.24 60.59 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.429 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -17.41 7.66 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 128.793 2.837 . . . . 0.0 115.283 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -132.14 -37.57 1.12 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.169 1.388 . . . . 0.0 113.156 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -70.41 -25.04 63.05 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.78 1.232 . . . . 0.0 113.213 175.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 43.6 t -132.77 -20.73 2.23 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.897 1.279 . . . . 0.0 113.468 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.294 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.73 0 C-N-CA 126.663 1.985 . . . . 0.0 114.055 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' D' ' 14' ' ' TRP . 3.1 tm? . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 120.997 0.427 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' ASP . . . . . 0.456 ' O ' HD13 ' D' ' 10' ' ' LEU . 7.0 t0 -67.39 132.02 46.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.725 0.81 . . . . 0.0 112.007 178.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -57.89 -25.98 61.52 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.607 -1.308 . . . . 0.0 113.717 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.16 -23.27 67.26 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.112 1.765 . . . . 0.0 115.241 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' TRP . . . . . 0.642 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.1 m95 -104.79 -31.65 9.22 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.383 1.073 . . . . 0.0 112.504 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.47 -44.73 72.83 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.007 1.323 . . . . 0.0 110.691 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -36.62 82.65 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.858 -0.591 . . . . 0.0 112.403 177.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.54 -48.42 69.75 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.763 1.225 . . . . 0.0 111.856 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.748 HG22 HD21 ' C' ' 10' ' ' LEU . 7.5 p -65.33 -41.47 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.591 ' HG2' HD23 ' C' ' 10' ' ' LEU . 69.7 mtm180 -62.78 -41.49 99.27 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.499 -0.75 . . . . 0.0 110.839 176.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.09 -39.06 77.62 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.399 1.08 . . . . 0.0 112.976 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.51 80.71 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.289 -0.882 . . . . 0.0 111.518 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.8 mmm -60.88 -38.9 87.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.42 0.288 . . . . 0.0 111.746 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 76.9 p -82.51 -33.39 28.3 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -84.62 8.26 17.44 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.44 21.22 78.67 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.301 0.953 . . . . 0.0 114.438 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.59 145.36 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.238 1.415 . . . . 0.0 111.082 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 49.8 m -58.14 109.1 0.69 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.28 1.032 . . . . 0.0 112.366 -174.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -63.73 -27.31 69.11 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -174.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -70.49 -37.0 74.14 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -64.43 -25.66 68.11 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-O 118.751 -0.643 . . . . 0.0 112.632 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' PHE . . . . . 0.451 ' HB3' HD13 ' C' ' 17' ' ' LEU . 0.5 OUTLIER -52.26 -56.68 13.17 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.058 0.845 . . . . 0.0 110.455 170.457 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -64.62 -47.9 76.89 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.229 1.011 . . . . 0.0 112.821 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -64.73 -37.43 87.56 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -71.06 -36.09 72.15 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.136 -0.978 . . . . 0.0 112.052 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.16 -51.62 63.73 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.847 -0.533 . . . . 0.0 110.487 170.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.3 -38.1 89.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.181 0.992 . . . . 0.0 112.172 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -58.06 -48.42 80.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.725 1.21 . . . . 0.0 112.803 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLN . . . . . 0.498 ' CB ' HG13 ' C' ' 26' ' ' VAL . 89.0 mm-40 -70.8 -41.14 72.01 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.367 -0.833 . . . . 0.0 112.284 175.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -54.77 -38.44 67.23 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.432 1.014 . . . . 0.0 111.115 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -54.48 -26.04 28.99 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 128.092 2.557 . . . . 0.0 114.55 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -121.01 -40.36 2.62 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.544 1.138 . . . . 0.0 113.433 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -72.85 -23.44 60.75 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.176 1.39 . . . . 0.0 113.008 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -130.4 -27.74 2.16 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.538 1.135 . . . . 0.0 113.299 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.837 0 C-N-CA 126.279 1.832 . . . . 0.0 113.98 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.654 HD21 HG22 ' B' ' 18' ' ' VAL . 1.7 tm? . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.082 0.468 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -64.9 140.27 58.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.574 0.702 . . . . 0.0 111.749 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -59.44 -28.28 66.82 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 120.95 -1.094 . . . . 0.0 113.641 -173.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -64.44 -27.35 68.93 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.553 1.941 . . . . 0.0 114.184 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.539 ' HB2' HD11 ' A' ' 10' ' ' LEU . 1.9 m95 -101.3 -31.8 10.8 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.123 0.874 . . . . 0.0 112.776 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -53.79 -47.05 71.17 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.683 1.193 . . . . 0.0 109.71 170.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -33.33 75.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.644 -179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 14' ' ' TRP . 63.9 mt -69.04 -47.82 64.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.678 1.191 . . . . 0.0 112.223 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.27 -41.78 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.76 -0.587 . . . . 0.0 111.913 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -64.73 -38.72 91.95 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.35 -0.844 . . . . 0.0 111.865 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.68 -39.89 86.03 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.839 1.256 . . . . 0.0 113.343 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.72 90.56 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 119.139 0.881 . . . . 0.0 110.604 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mmm -62.54 -41.93 99.21 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -79.1 -31.82 44.41 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -81.73 4.16 22.96 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.71 23.6 73.98 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 120.767 -1.208 . . . . 0.0 114.024 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.423 HG13 ' CB ' ' B' ' 38' ' ' GLN . 17.7 t -66.76 148.11 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.523 1.529 . . . . 0.0 110.665 177.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.8 m -61.52 102.13 0.22 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.707 0.803 . . . . 0.0 112.666 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -61.55 -28.72 69.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.866 1.266 . . . . 0.0 113.66 -176.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -64.99 -34.86 79.44 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.117 1.367 . . . . 0.0 114.063 171.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.57 -30.64 70.99 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.25 -54.21 43.15 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.77 0.428 . . . . 0.0 110.713 172.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -63.45 -49.37 73.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.926 0.89 . . . . 0.0 112.865 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.44 -40.3 95.47 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -69.88 -34.43 73.55 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.749 0.704 . . . . 0.0 112.128 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -55.91 27.96 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.584 0.753 . . . . 0.0 110.841 171.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -66.67 -37.64 85.2 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -53.44 -56.94 12.68 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.298 0.639 . . . . 0.0 111.758 169.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.72 -38.97 90.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.385 0.993 . . . . 0.0 112.162 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -56.36 -51.01 69.87 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.452 1.478 . . . . 0.0 110.838 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -76.74 -12.74 60.03 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -88.52 -48.0 7.91 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.968 1.307 . . . . 0.0 112.337 167.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -43.17 9.81 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.014 2.126 . . . . 0.0 113.312 -163.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -101.02 -26.01 13.86 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.567 1.147 . . . . 0.0 111.638 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.82 0 C-N-CA 126.197 1.799 . . . . 0.0 111.144 169.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.0 tm? . . . . . 0 N--CA 1.467 0.398 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -62.76 132.79 53.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.935 0.494 . . . . 0.0 111.763 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -58.5 -25.31 62.23 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.945 -1.097 . . . . 0.0 113.369 -173.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -61.28 -29.52 69.91 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.097 1.759 . . . . 0.0 114.778 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.657 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.5 m95 -99.21 -31.85 11.52 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.38 0.991 . . . . 0.0 112.147 178.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -53.8 -50.51 65.94 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.286 1.034 . . . . 0.0 109.492 170.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -31.97 72.65 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' B' ' 14' ' ' TRP . 60.6 mt -68.64 -48.03 65.08 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.078 1.351 . . . . 0.0 111.886 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.654 HG22 HD21 ' A' ' 10' ' ' LEU . 13.4 p -65.83 -42.88 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 177.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.55 ' HG2' HD23 ' A' ' 10' ' ' LEU . 8.3 mtm105 -61.6 -42.26 98.62 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.852 0.861 . . . . 0.0 110.304 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.26 -40.96 83.18 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.702 1.201 . . . . 0.0 113.378 171.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.57 94.86 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 119.015 0.825 . . . . 0.0 111.134 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.5 mmm -64.84 -42.6 94.78 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -78.09 -32.81 50.81 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 5.4 t -82.24 3.42 27.51 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.06 22.24 74.07 Favored Glycine 0 CA--C 1.537 1.432 0 O-C-N 120.868 -1.145 . . . . 0.0 114.387 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 37.1 t -64.03 147.01 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.33 1.452 . . . . 0.0 110.68 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m -55.7 107.93 0.39 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.421 1.088 . . . . 0.0 112.592 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -63.85 -34.13 77.24 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.865 0.866 . . . . 0.0 112.026 -173.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -63.27 -39.65 95.19 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.161 1.384 . . . . 0.0 113.908 174.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.58 -29.73 70.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.227 0.611 . . . . 0.0 112.383 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.93 -54.08 49.0 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.42 0.554 . . . . 0.0 110.982 173.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.88 -48.14 72.5 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.872 0.869 . . . . 0.0 112.673 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.14 -42.58 99.39 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -69.98 -33.05 71.57 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.564 -0.71 . . . . 0.0 112.215 176.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -52.66 64.17 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.479 0.581 . . . . 0.0 110.766 170.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -62.91 -40.89 98.96 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.249 0.477 . . . . 0.0 111.678 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -54.97 -54.59 40.83 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.562 -0.711 . . . . 0.0 112.186 173.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.423 ' CB ' HG13 ' A' ' 26' ' ' VAL . 88.3 mm-40 -66.39 -39.14 88.87 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 119.1 0.864 . . . . 0.0 112.401 177.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -56.29 -51.04 69.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.652 1.569 . . . . 0.0 110.744 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -81.18 -9.45 59.79 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -89.82 -48.4 7.27 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.267 1.394 . . . . 0.0 112.812 165.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -80.15 -51.62 8.76 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.122 2.169 . . . . 0.0 113.236 -173.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -93.09 -34.04 13.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.885 0.874 . . . . 0.0 112.14 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 C-N-CA 125.072 1.349 . . . . 0.0 112.29 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' LEU . . . . . 0.668 HD21 HG22 ' D' ' 18' ' ' VAL . 1.5 tm? . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 121.497 0.665 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . 0.423 ' HB3' ' CD1' ' C' ' 14' ' ' TRP . 10.1 t0 -65.41 140.78 58.66 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.011 0.925 . . . . 0.0 111.836 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.0 p -58.76 -28.4 65.88 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.798 -1.189 . . . . 0.0 113.474 -176.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.16 -26.81 68.69 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.659 1.983 . . . . 0.0 114.532 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . 0.519 ' HB2' HD11 ' C' ' 10' ' ' LEU . 2.1 m95 -101.84 -31.9 10.51 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.958 0.799 . . . . 0.0 112.662 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -54.24 -47.49 72.16 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 125.637 1.575 . . . . 0.0 110.7 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -35.18 80.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.407 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' C' ' 14' ' ' TRP . 80.1 mt -67.04 -47.95 69.81 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.607 1.163 . . . . 0.0 112.016 176.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -66.27 -40.0 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.845 -0.534 . . . . 0.0 111.943 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -62.98 -39.65 95.34 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.318 -0.864 . . . . 0.0 112.392 170.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -38.23 75.74 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.26 1.024 . . . . 0.0 112.495 172.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.37 -43.74 66.32 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.139 -0.976 . . . . 0.0 111.589 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 2.0 mmm -60.97 -34.94 75.54 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 46.5 p -87.58 -34.81 18.41 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -85.46 8.53 18.72 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.18 17.28 80.25 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.547 1.07 . . . . 0.0 114.986 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' D' ' 38' ' ' GLN . 24.3 t -64.55 145.34 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.479 1.512 . . . . 0.0 111.347 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 52.8 m -56.9 115.65 2.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.989 0.916 . . . . 0.0 111.835 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -65.86 -29.89 70.41 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -172.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -68.62 -35.01 76.73 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.097 0.959 . . . . 0.0 112.985 172.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -60.69 -26.24 66.98 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.481 0.712 . . . . 0.0 112.635 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . 0.428 ' HB3' HD13 ' D' ' 17' ' ' LEU . 1.5 m-85 -53.44 -63.24 1.21 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.651 0.659 . . . . 0.0 111.532 166.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -62.37 -45.26 93.96 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.832 0.853 . . . . 0.0 112.858 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -64.12 -40.0 95.24 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -71.92 -37.07 70.12 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.355 0.979 . . . . 0.0 112.038 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -52.36 63.24 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.781 0.832 . . . . 0.0 110.301 173.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -64.65 -41.6 96.01 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.551 0.74 . . . . 0.0 111.878 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -54.28 -45.82 72.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.245 1.018 . . . . 0.0 112.281 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLN . . . . . 0.4 ' CB ' HG13 ' D' ' 26' ' ' VAL . 92.3 mm-40 -72.66 -44.14 62.24 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.343 -0.848 . . . . 0.0 112.537 173.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -55.44 -35.41 65.41 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.944 1.247 . . . . 0.0 112.302 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -54.18 -28.6 41.65 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 128.658 2.783 . . . . 0.0 113.451 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -116.21 -41.89 3.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.336 1.854 . . . . 0.0 113.965 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -71.44 -26.25 62.65 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.157 1.383 . . . . 0.0 112.994 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 46.6 t -121.63 -35.2 3.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.035 1.334 . . . . 0.0 112.595 172.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.769 0 C-N-CA 125.327 1.451 . . . . 0.0 113.843 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' ASP . . . . . 0.411 ' O ' HD13 ' D' ' 10' ' ' LEU . 7.9 t0 -63.21 132.2 50.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.154 0.582 . . . . 0.0 111.815 177.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -57.8 -26.45 61.98 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.873 -1.142 . . . . 0.0 113.314 -174.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -61.25 -30.03 70.2 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.263 1.825 . . . . 0.0 114.798 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' TRP . . . . . 0.624 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.9 m95 -96.93 -32.15 12.19 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.438 1.017 . . . . 0.0 112.249 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.05 -50.51 66.54 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.272 1.029 . . . . 0.0 109.52 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -32.53 73.32 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.759 -0.588 . . . . 0.0 112.477 -176.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' D' ' 14' ' ' TRP . 45.7 mt -68.54 -47.34 67.15 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.881 1.272 . . . . 0.0 112.521 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.668 HG22 HD21 ' C' ' 10' ' ' LEU . 11.5 p -64.43 -42.6 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.408 -0.807 . . . . 0.0 112.223 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.599 ' HG2' HD23 ' C' ' 10' ' ' LEU . 8.9 mtm105 -61.85 -43.97 97.78 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.935 0.894 . . . . 0.0 110.68 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -58.28 -41.64 84.78 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.127 1.371 . . . . 0.0 113.523 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.5 92.26 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.551 -0.718 . . . . 0.0 111.448 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 2.3 mmm -60.19 -39.37 86.29 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 73.5 p -80.84 -32.66 35.04 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -81.25 5.88 15.79 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.74 23.45 77.88 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 123.993 0.806 . . . . 0.0 114.17 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . 0.4 HG13 ' CB ' ' C' ' 38' ' ' GLN . 38.9 t -66.34 148.63 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.335 1.454 . . . . 0.0 111.113 177.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 55.1 m -56.58 112.01 1.16 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.063 0.945 . . . . 0.0 111.98 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.5 -28.19 68.37 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.357 0.663 . . . . 0.0 112.52 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -70.44 -38.04 74.45 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.165 0.986 . . . . 0.0 112.73 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -62.62 -29.3 70.51 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.456 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -57.82 -48.82 78.65 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.517 1.053 . . . . 0.0 111.632 172.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ARG . . . . . 0.407 ' HA ' HD22 ' C' ' 17' ' ' LEU . 12.5 tpt180 -63.79 -48.26 77.62 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.435 0.694 . . . . 0.0 112.358 172.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.82 -42.96 97.53 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -33.37 68.86 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.116 0.966 . . . . 0.0 111.858 176.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.69 -52.36 56.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.313 0.96 . . . . 0.0 110.488 168.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -69.66 -35.86 75.55 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.588 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -38.1 89.34 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.31 1.414 . . . . 0.0 113.272 174.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLN . . . . . 0.468 ' CB ' HG13 ' C' ' 26' ' ' VAL . 88.8 mm-40 -72.71 -41.18 65.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 119.404 1.002 . . . . 0.0 112.5 170.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -55.46 -41.61 73.17 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.893 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -55.39 -19.09 8.05 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 129.208 3.003 . . . . 0.0 114.58 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -118.36 -44.57 2.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.257 1.823 . . . . 0.0 113.48 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -78.46 -25.09 45.75 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.429 1.492 . . . . 0.0 113.211 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 28.1 t -133.28 -20.52 2.11 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.931 1.292 . . . . 0.0 113.237 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.301 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.767 0 C-N-CA 127.088 2.155 . . . . 0.0 113.843 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.707 HD21 HG22 ' B' ' 18' ' ' VAL . 1.1 tm? . . . . . 0 C--O 1.234 0.248 0 CA-C-O 121.382 0.611 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.83 133.44 50.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.781 0.832 . . . . 0.0 110.552 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -59.45 -23.93 63.12 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.967 -1.083 . . . . 0.0 113.399 -172.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.6 -26.01 67.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.716 2.006 . . . . 0.0 114.561 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.529 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.4 m95 -102.2 -32.05 10.27 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.022 0.929 . . . . 0.0 112.895 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -54.05 -46.62 71.99 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.902 1.281 . . . . 0.0 109.978 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -34.08 77.55 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.515 -0.755 . . . . 0.0 112.627 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 14' ' ' TRP . 73.4 mt -67.35 -49.31 64.54 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.198 0.999 . . . . 0.0 111.827 176.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -67.69 -39.0 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.727 -0.608 . . . . 0.0 112.35 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -67.92 -33.99 75.76 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.11 0.964 . . . . 0.0 112.58 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.29 -39.78 94.12 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.531 1.132 . . . . 0.0 112.794 166.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HB2' HD21 ' B' ' 35' ' ' LEU . . . -68.06 -41.89 81.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.411 1.005 . . . . 0.0 111.228 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 mmt -56.54 -52.48 64.61 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.941 0.897 . . . . 0.0 111.42 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.7 p -73.21 -31.55 64.23 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -81.5 -3.85 54.27 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.56 27.06 73.56 Favored Glycine 0 CA--C 1.539 1.589 0 O-C-N 120.665 -1.272 . . . . 0.0 113.779 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.422 HG13 ' CB ' ' B' ' 38' ' ' GLN . 7.1 t -64.29 149.73 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.995 1.718 . . . . 0.0 110.977 176.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 m -60.95 98.47 0.07 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.434 1.094 . . . . 0.0 112.577 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -61.18 -29.98 70.13 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.775 1.23 . . . . 0.0 113.03 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -64.29 -37.73 88.53 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.919 1.288 . . . . 0.0 114.022 171.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -63.68 -34.09 77.08 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.042 0.383 . . . . 0.0 111.142 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -54.37 46.65 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.63 0.772 . . . . 0.0 111.575 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -64.51 -48.34 75.49 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -61.81 -47.28 85.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 119.156 -0.45 . . . . 0.0 111.623 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -27.19 62.32 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.433 1.015 . . . . 0.0 113.56 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -57.3 9.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.649 1.113 . . . . 0.0 109.702 168.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -73.94 -33.99 64.14 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.922 0.889 . . . . 0.0 111.983 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -45.88 92.97 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.152 -0.967 . . . . 0.0 112.958 169.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -66.59 -37.62 85.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.224 1.375 . . . . 0.0 112.158 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -55.82 -46.49 78.08 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.711 1.141 . . . . 0.0 110.393 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -80.65 4.37 18.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.495 1.918 . . . . 0.0 115.552 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -46.16 4.03 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.084 1.754 . . . . 0.0 111.981 164.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -78.27 -53.97 6.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.295 2.238 . . . . 0.0 113.286 -176.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.4 t -93.14 -30.85 15.04 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.508 1.123 . . . . 0.0 112.099 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.945 0 C-N-CA 125.164 1.386 . . . . 0.0 112.595 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' B' ' 14' ' ' TRP . 2.8 tm? . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 120.502 0.191 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.23 137.22 58.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.911 0.884 . . . . 0.0 112.043 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.6 p -57.82 -28.42 64.05 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.152 -0.968 . . . . 0.0 113.379 -176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.64 -22.96 66.7 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.093 1.757 . . . . 0.0 115.296 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.615 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.6 m95 -106.68 -32.04 8.18 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.396 1.079 . . . . 0.0 112.471 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -53.63 -46.06 70.36 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.536 1.535 . . . . 0.0 110.182 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -38.82 89.22 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.991 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' B' ' 14' ' ' TRP . 62.9 mt -65.72 -47.85 73.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.606 1.162 . . . . 0.0 112.101 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.707 HG22 HD21 ' A' ' 10' ' ' LEU . 10.1 p -65.96 -43.39 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 120.341 -0.544 . . . . 0.0 112.32 178.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.655 ' HG2' HD23 ' A' ' 10' ' ' LEU . 76.3 mtm180 -63.64 -41.37 98.25 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.425 -0.797 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -59.19 -44.54 92.2 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.413 1.485 . . . . 0.0 113.012 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.85 98.84 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.749 -0.594 . . . . 0.0 111.443 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mmm -63.59 -47.0 83.25 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -73.3 -31.32 63.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -89.07 6.85 37.9 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.75 26.6 64.64 Favored Glycine 0 CA--C 1.537 1.46 0 N-CA-C 115.397 0.919 . . . . 0.0 115.397 171.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.9 t -69.52 150.46 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.963 1.305 . . . . 0.0 112.153 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.8 m -57.81 104.36 0.18 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.713 1.205 . . . . 0.0 112.921 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -62.75 -36.41 82.96 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.055 0.942 . . . . 0.0 112.078 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -63.14 -37.41 87.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.225 1.41 . . . . 0.0 113.812 174.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -69.02 -31.62 70.56 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -51.71 61.24 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.934 0.893 . . . . 0.0 110.512 171.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.16 -52.47 58.89 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.474 1.11 . . . . 0.0 113.531 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.54 -38.15 90.03 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.24 0.473 . . . . 0.0 112.179 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -70.71 -33.51 70.94 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.642 0.655 . . . . 0.0 112.083 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -57.14 -54.05 51.2 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.776 0.716 . . . . 0.0 111.366 170.185 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -67.54 -35.05 78.33 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -55.46 -54.14 47.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.072 0.949 . . . . 0.0 112.114 170.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.422 ' CB ' HG13 ' A' ' 26' ' ' VAL . 97.9 mm-40 -66.83 -37.52 84.66 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 118.391 -0.814 . . . . 0.0 112.192 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -55.96 -53.87 51.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.25 1.386 . . . . 0.0 110.787 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -76.7 -1.0 25.66 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -48.01 3.88 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.042 1.337 . . . . 0.0 112.592 167.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -77.86 -51.65 10.13 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.114 2.166 . . . . 0.0 113.276 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.7 t -87.03 -33.51 19.53 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.776 0.83 . . . . 0.0 111.177 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 C-N-CA 124.96 1.304 . . . . 0.0 111.964 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' C' ' 14' ' ' TRP . 2.0 tm? . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 120.56 0.219 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.68 136.67 58.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.999 0.919 . . . . 0.0 111.56 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -57.02 -30.85 64.55 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.9 -19.74 65.78 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.513 1.925 . . . . 0.0 115.361 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . 0.577 ' HB2' HD11 ' C' ' 10' ' ' LEU . 1.8 m95 -104.31 -32.28 9.15 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.916 0.886 . . . . 0.0 113.089 174.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -53.97 -46.82 71.76 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.692 1.197 . . . . 0.0 110.228 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -36.5 80.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.281 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' C' ' 14' ' ' TRP . 86.1 mt -69.35 -48.16 62.19 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.647 1.179 . . . . 0.0 112.137 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.32 -40.72 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.823 -0.548 . . . . 0.0 111.972 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -63.58 -40.41 96.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.861 0.864 . . . . 0.0 111.696 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.17 -38.78 80.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.785 1.234 . . . . 0.0 113.56 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.8 82.57 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.438 1.017 . . . . 0.0 110.517 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 4.9 mmm -61.6 -41.67 97.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 119.364 -0.35 . . . . 0.0 111.925 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 81.2 p -79.81 -31.16 40.69 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -80.16 2.18 25.21 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 20.87 74.75 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 120.819 -1.176 . . . . 0.0 113.872 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . 0.501 HG13 ' CB ' ' D' ' 38' ' ' GLN . 32.2 t -63.61 142.02 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.256 1.423 . . . . 0.0 109.967 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -58.02 112.33 1.47 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.833 0.853 . . . . 0.0 112.203 -171.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -65.11 -27.21 68.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -172.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.27 -38.17 84.66 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -60.48 -29.09 68.84 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.999 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -53.88 51.82 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 119.473 1.033 . . . . 0.0 111.686 175.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -65.28 -46.62 79.72 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.261 0.624 . . . . 0.0 112.535 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -66.64 -38.69 87.43 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -32.42 65.48 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.733 -1.229 . . . . 0.0 112.255 171.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.8 -50.59 65.78 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.244 0.929 . . . . 0.0 109.924 166.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -58.68 -46.82 86.41 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.821 175.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -36.6 84.41 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.133 1.333 . . . . 0.0 114.515 -178.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLN . . . . . 0.432 ' CB ' HG13 ' D' ' 26' ' ' VAL . 95.8 mm-40 -72.89 -44.04 61.76 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.522 1.055 . . . . 0.0 112.053 170.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -54.45 -39.42 67.41 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.614 0.766 . . . . 0.0 110.868 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.1 -23.36 13.65 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 129.412 3.085 . . . . 0.0 114.588 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -125.6 -37.24 2.35 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.715 1.606 . . . . 0.0 113.53 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -72.72 -25.5 61.24 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.824 1.25 . . . . 0.0 113.344 175.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -138.57 -18.53 1.09 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.25 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.788 0 C-N-CA 125.7 1.6 . . . . 0.0 114.224 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 120.504 0.192 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 8.3 t0 -64.27 135.57 56.35 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.81 -0.556 . . . . 0.0 112.137 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -56.55 -30.21 62.85 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.033 -1.042 . . . . 0.0 112.69 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -61.27 -30.65 70.6 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' TRP . . . . . 0.654 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.0 m95 -98.81 -31.67 11.75 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.707 1.14 . . . . 0.0 112.136 178.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -52.93 -47.68 67.85 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.665 1.586 . . . . 0.0 109.756 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -67.55 -29.97 69.49 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.343 -0.836 . . . . 0.0 113.182 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' D' ' 14' ' ' TRP . 60.0 mt -71.01 -48.13 54.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.02 1.328 . . . . 0.0 112.363 175.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.518 HG22 HD21 ' C' ' 10' ' ' LEU . 10.4 p -66.27 -37.82 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 O-C-N 121.471 -0.768 . . . . 0.0 112.205 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -67.13 -37.44 83.85 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.283 -0.886 . . . . 0.0 111.824 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -39.23 77.11 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.561 1.144 . . . . 0.0 112.612 167.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -43.0 81.3 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.198 -0.939 . . . . 0.0 111.684 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 15.9 mmt -60.35 -37.02 79.38 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -82.23 -36.37 27.27 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.53 7.99 26.99 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -173.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.7 20.54 78.11 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.549 1.071 . . . . 0.0 114.833 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . 0.432 HG13 ' CB ' ' C' ' 38' ' ' GLN . 24.3 t -67.12 147.04 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.444 1.497 . . . . 0.0 111.757 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 50.5 m -60.01 108.83 0.83 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.255 1.022 . . . . 0.0 111.915 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -65.23 -27.78 68.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -67.72 -40.76 84.21 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 170.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.66 -27.57 69.32 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -56.23 16.64 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.794 0.724 . . . . 0.0 111.278 169.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -64.72 -47.44 78.27 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.94 0.896 . . . . 0.0 112.646 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -64.02 -38.47 91.21 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -72.63 -34.16 67.14 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.192 0.905 . . . . 0.0 111.914 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -52.54 62.73 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.777 -0.577 . . . . 0.0 111.002 166.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -59.71 -41.33 90.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.732 -0.652 . . . . 0.0 111.512 175.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.24 -49.26 77.73 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.672 1.189 . . . . 0.0 113.072 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLN . . . . . 0.501 ' CB ' HG13 ' C' ' 26' ' ' VAL . 88.2 mm-40 -71.3 -42.04 69.17 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.629 -0.669 . . . . 0.0 112.076 175.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -52.65 -40.16 62.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.995 0.816 . . . . 0.0 110.952 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.06 -24.37 9.82 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 128.456 2.703 . . . . 0.0 114.592 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -127.07 -39.08 1.95 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.702 1.601 . . . . 0.0 113.207 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -72.53 -25.8 61.52 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.79 1.236 . . . . 0.0 113.139 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 95.3 p -133.56 -17.44 2.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.287 1.035 . . . . 0.0 113.723 172.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.275 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 126.555 1.942 . . . . 0.0 113.547 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.7 HD21 HG22 ' B' ' 18' ' ' VAL . 1.1 tm? . . . . . 0 N--CA 1.465 0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.9 t0 -65.69 135.94 55.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.447 1.099 . . . . 0.0 111.09 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.0 t -57.2 -29.56 63.81 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.065 -1.022 . . . . 0.0 112.235 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.96 -20.23 66.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.488 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.5 m95 -103.53 -32.26 9.55 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.017 0.927 . . . . 0.0 112.912 172.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -53.66 -45.94 70.41 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.997 1.319 . . . . 0.0 110.073 171.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -39.46 92.45 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.075 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 14' ' ' TRP . 73.2 mt -66.19 -47.02 75.3 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.506 1.122 . . . . 0.0 111.554 179.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.437 HG22 HD21 ' B' ' 10' ' ' LEU . 14.4 p -69.03 -43.5 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HG2' HD23 ' B' ' 10' ' ' LEU . 31.8 mtm105 -57.71 -44.0 85.63 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.09 -1.006 . . . . 0.0 111.819 172.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -43.13 94.1 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.118 0.967 . . . . 0.0 113.082 173.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.62 96.3 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.675 -0.64 . . . . 0.0 110.959 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.0 mmm -64.75 -51.77 60.54 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.8 p -72.21 -32.47 66.81 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -87.13 6.94 30.3 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.61 25.53 67.44 Favored Glycine 0 CA--C 1.538 1.479 0 N-CA-C 115.822 1.089 . . . . 0.0 115.822 168.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.429 HG13 ' CB ' ' B' ' 38' ' ' GLN . 16.2 t -67.83 149.75 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.475 1.51 . . . . 0.0 112.021 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.9 m -58.91 107.48 0.53 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.211 1.004 . . . . 0.0 112.607 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -62.72 -35.82 80.97 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.275 1.03 . . . . 0.0 112.344 -175.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -63.18 -37.19 86.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.91 1.284 . . . . 0.0 113.902 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -65.31 -33.41 75.91 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 118.107 0.412 . . . . 0.0 111.363 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -55.24 35.56 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.745 0.818 . . . . 0.0 111.067 174.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -62.4 -51.25 68.31 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.032 0.933 . . . . 0.0 112.898 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -61.16 -45.26 95.36 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.15 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.67 -34.36 77.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.424 1.011 . . . . 0.0 112.189 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' B' ' 21' ' ' ALA . 0.1 OUTLIER -55.69 -57.58 11.41 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.516 0.598 . . . . 0.0 111.887 172.16 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -71.73 -30.21 65.38 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -58.27 -50.28 74.15 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.733 1.213 . . . . 0.0 112.837 168.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -66.78 -39.83 87.95 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.218 0.917 . . . . 0.0 112.253 175.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -54.7 -47.52 73.6 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.943 1.247 . . . . 0.0 110.13 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -81.99 6.96 14.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.44 -45.24 3.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.726 1.21 . . . . 0.0 112.297 164.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -73.82 -33.52 64.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.662 1.985 . . . . 0.0 114.477 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.1 t -134.79 -32.75 0.97 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -168.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.933 0 C-N-CA 125.637 1.575 . . . . 0.0 114.498 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.1 tm? . . . . . 0 N--CA 1.469 0.484 0 CA-C-O 120.646 0.26 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.428 ' O ' HD13 ' B' ' 10' ' ' LEU . 7.2 t0 -67.15 134.02 50.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.251 0.621 . . . . 0.0 111.684 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 16.4 m -59.19 -24.94 63.53 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.699 -1.251 . . . . 0.0 113.966 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -64.01 -23.75 67.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.839 1.655 . . . . 0.0 114.95 174.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.588 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.2 m95 -103.7 -30.94 10.11 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.654 1.182 . . . . 0.0 112.391 177.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.15 -49.1 70.01 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.129 0.972 . . . . 0.0 109.264 169.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -34.49 74.59 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 119.012 -0.518 . . . . 0.0 111.886 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.11 -49.99 57.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.104 1.361 . . . . 0.0 111.994 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.7 HG22 HD21 ' A' ' 10' ' ' LEU . 11.0 p -65.96 -40.82 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.549 -0.719 . . . . 0.0 112.356 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.597 ' HG2' HD23 ' A' ' 10' ' ' LEU . 16.5 mtm105 -64.62 -39.76 94.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.608 0.763 . . . . 0.0 110.49 176.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.94 -42.28 84.53 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.012 0.925 . . . . 0.0 112.061 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.525 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -67.77 -41.93 82.53 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 120.037 1.29 . . . . 0.0 111.541 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mmm -63.9 -40.15 95.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 62.5 p -86.39 -31.99 21.17 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -87.23 2.32 50.41 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.44 25.47 47.14 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.702 1.144 . . . . 0.0 114.769 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 30.1 t -78.41 150.11 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.073 1.349 . . . . 0.0 112.226 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.3 m -61.36 97.87 0.07 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.206 1.402 . . . . 0.0 113.193 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -59.16 -30.94 68.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.708 1.203 . . . . 0.0 113.165 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -65.2 -33.82 76.92 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.282 1.433 . . . . 0.0 114.289 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -65.84 -33.27 75.47 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 119.19 -0.433 . . . . 0.0 111.4 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -53.16 60.34 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.691 0.796 . . . . 0.0 111.5 -178.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -63.59 -48.34 77.79 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -64.02 -44.46 92.52 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -30.79 67.42 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.528 -0.732 . . . . 0.0 112.799 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -56.99 12.7 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.066 0.848 . . . . 0.0 110.076 170.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -68.83 -35.68 77.25 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.721 0.808 . . . . 0.0 112.296 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.69 -51.0 71.34 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.481 -0.762 . . . . 0.0 112.553 170.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.429 ' CB ' HG13 ' A' ' 26' ' ' VAL . 70.2 mm-40 -65.1 -39.05 92.6 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.674 1.124 . . . . 0.0 112.357 175.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -55.9 -50.11 71.57 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.724 1.147 . . . . 0.0 110.924 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -78.04 -2.66 38.25 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -47.99 5.37 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.61 1.564 . . . . 0.0 112.158 165.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 mmpp? -78.97 -53.86 6.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.938 2.095 . . . . 0.0 113.209 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 39.5 t -91.59 -29.27 17.02 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.295 1.038 . . . . 0.0 111.81 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.881 0 C-N-CA 125.314 1.446 . . . . 0.0 111.661 173.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' LEU . . . . . 0.743 HD21 HG22 ' D' ' 18' ' ' VAL . 0.9 OUTLIER . . . . . 0 CA--C 1.534 0.363 0 CA-C-O 121.576 0.703 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.11 22.06 1.01 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 116.914 2.191 . . . . 0.0 116.914 -156.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m 63.16 -36.0 0.14 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 129.957 3.303 . . . . 0.0 115.657 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -63.82 -29.34 70.54 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.885 2.074 . . . . 0.0 112.313 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . 0.534 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.8 m95 -96.42 -30.51 13.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.956 0.903 . . . . 0.0 112.046 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -57.63 -48.92 78.11 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.639 1.575 . . . . 0.0 109.692 170.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -65.22 -29.6 70.42 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' D' ' 32' ' ' ARG . 62.2 mt -68.89 -50.73 47.06 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.747 1.219 . . . . 0.0 112.371 172.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.53 HG22 HD21 ' D' ' 10' ' ' LEU . 14.7 p -65.86 -35.61 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 O-C-N 121.528 -0.733 . . . . 0.0 112.498 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.446 ' HG2' HD23 ' D' ' 10' ' ' LEU . 36.8 mtm105 -63.91 -42.71 97.35 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.3 -0.875 . . . . 0.0 111.149 172.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -36.37 72.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.257 1.023 . . . . 0.0 113.094 170.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.45 ' HB2' HD21 ' D' ' 35' ' ' LEU . . . -69.93 -40.31 75.6 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.226 -0.921 . . . . 0.0 111.931 175.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . 0.414 ' CE ' ' CD1' ' D' ' 14' ' ' TRP . 25.8 mmt -60.53 -40.73 92.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.197 0.453 . . . . 0.0 111.671 173.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 82.7 p -79.88 -35.1 38.56 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -87.14 8.25 24.57 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.436 1.016 . . . . 0.0 113.676 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.4 23.8 76.32 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.704 -1.248 . . . . 0.0 114.472 174.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . 0.435 HG13 ' CB ' ' D' ' 38' ' ' GLN . 6.5 t -66.94 145.19 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.06 1.344 . . . . 0.0 111.083 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -59.77 111.07 1.31 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.616 1.166 . . . . 0.0 111.606 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -67.19 -24.36 65.85 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -171.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -67.92 -33.74 75.27 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 171.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -63.49 -26.34 68.67 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 123.352 0.661 . . . . 0.0 112.529 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . 0.469 ' HB3' HD13 ' D' ' 17' ' ' LEU . 2.1 m-85 -53.43 -59.0 5.14 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 118.518 0.599 . . . . 0.0 111.006 168.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -63.12 -47.88 80.91 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.606 0.763 . . . . 0.0 112.582 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -64.9 -37.03 86.27 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.24 -36.8 69.19 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.598 1.09 . . . . 0.0 112.169 173.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -50.19 67.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.402 0.681 . . . . 0.0 109.706 171.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.25 -44.09 96.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 112.428 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -53.45 -47.23 69.89 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.779 1.231 . . . . 0.0 112.52 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -74.4 -43.44 56.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.932 0.787 . . . . 0.0 112.99 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -53.76 -35.66 61.51 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.232 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -53.72 -23.63 12.27 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 128.664 2.786 . . . . 0.0 114.664 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -127.09 -37.66 2.06 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.693 1.597 . . . . 0.0 112.66 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -70.52 -24.79 62.89 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.469 1.108 . . . . 0.0 113.226 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 26.1 t -144.66 -17.13 0.53 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.928 0 C-N-CA 127.076 2.15 . . . . 0.0 115.156 170.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' ASP . . . . . 0.497 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 6.2 t0 -64.37 136.38 57.07 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.387 0.613 . . . . 0.0 111.853 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 99.4 p -58.45 -29.07 65.87 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.689 -1.257 . . . . 0.0 113.469 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.32 -27.06 66.85 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.195 1.798 . . . . 0.0 114.297 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' TRP . . . . . 0.593 ' HB2' HD11 ' D' ' 10' ' ' LEU . 1.9 m95 -100.41 -31.28 11.38 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.096 0.862 . . . . 0.0 112.871 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -53.86 -48.09 70.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.265 1.026 . . . . 0.0 109.584 170.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -35.17 79.38 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.977 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' D' ' 14' ' ' TRP . 54.0 mt -68.06 -45.48 73.77 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.212 1.405 . . . . 0.0 112.411 177.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.743 HG22 HD21 ' C' ' 10' ' ' LEU . 10.0 p -65.6 -43.62 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.561 -0.712 . . . . 0.0 112.118 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.641 ' HG2' HD23 ' C' ' 10' ' ' LEU . 23.3 mtm105 -62.88 -41.25 99.33 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.728 -0.607 . . . . 0.0 110.615 178.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.78 -41.89 87.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.395 1.478 . . . . 0.0 113.492 173.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.93 92.19 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 121.482 -0.761 . . . . 0.0 111.486 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mmm -60.75 -40.08 91.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 76.3 p -78.41 -31.3 48.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t -81.69 5.83 17.14 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.91 22.28 78.8 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 123.903 0.763 . . . . 0.0 114.168 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 36.1 t -67.27 146.57 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.892 1.277 . . . . 0.0 111.061 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -57.92 109.84 0.81 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.274 1.03 . . . . 0.0 112.139 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.29 -31.33 71.91 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.921 0.888 . . . . 0.0 113.222 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -67.25 -36.6 81.95 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.91 0.884 . . . . 0.0 112.7 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -64.02 -29.12 70.29 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 118.572 -0.728 . . . . 0.0 112.432 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.41 -47.18 84.76 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.672 1.124 . . . . 0.0 111.707 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ARG . . . . . 0.478 ' HA ' HD22 ' C' ' 17' ' ' LEU . 9.1 tpt180 -62.72 -49.95 73.06 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.739 0.7 . . . . 0.0 112.199 172.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.47 -37.17 84.52 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.96 -30.41 62.51 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.183 1.356 . . . . 0.0 111.868 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' C' ' 21' ' ' ALA . 0.1 OUTLIER -56.34 -50.72 70.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.104 0.866 . . . . 0.0 110.243 166.46 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -61.05 -40.38 93.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.311 0.644 . . . . 0.0 112.055 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -59.63 -47.52 85.25 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.997 1.319 . . . . 0.0 112.758 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' GLN . . . . . 0.435 ' CB ' HG13 ' C' ' 26' ' ' VAL . 66.1 mm-40 -70.2 -43.0 71.6 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.869 -0.519 . . . . 0.0 111.729 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -53.62 -41.68 66.95 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.54 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -53.5 -23.18 9.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.203 2.601 . . . . 0.0 114.812 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -118.6 -43.0 2.71 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.055 1.742 . . . . 0.0 112.861 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -36.13 71.47 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -177.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 89.3 p -125.65 -10.68 6.76 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.111 1.364 . . . . 0.0 114.504 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.287 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 128.642 2.777 . . . . 0.0 113.923 175.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.683 HD21 HG22 ' B' ' 18' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 121.488 0.661 . . . . 0.0 111.73 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 11.8 t0 -67.48 136.88 55.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.77 1.228 . . . . 0.0 111.365 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.8 t -57.19 -28.9 63.25 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.049 -1.032 . . . . 0.0 112.513 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -60.99 -28.45 69.04 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 173.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.7 m95 -100.95 -31.8 10.95 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.46 1.027 . . . . 0.0 112.469 177.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -53.91 -47.28 71.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.015 1.326 . . . . 0.0 110.043 171.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -36.59 84.15 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.53 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 14' ' ' TRP . 55.5 mt -66.06 -48.04 72.34 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.472 1.109 . . . . 0.0 111.901 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.78 HG22 HD21 ' B' ' 10' ' ' LEU . 11.6 p -66.68 -41.69 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 119.946 -0.702 . . . . 0.0 112.445 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.711 ' HG2' HD23 ' B' ' 10' ' ' LEU . 79.0 mtm180 -66.22 -37.55 85.82 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.54 -0.725 . . . . 0.0 111.27 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.71 -43.9 93.95 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.19 0.996 . . . . 0.0 112.69 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.84 97.72 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.783 -0.573 . . . . 0.0 111.422 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.3 mmt -58.26 -51.37 70.07 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.034 0.534 . . . . 0.0 112.18 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.0 p -77.63 -30.96 52.48 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -174.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -83.23 4.27 27.58 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.98 21.94 78.93 Favored Glycine 0 CA--C 1.535 1.315 0 O-C-N 121.048 -1.032 . . . . 0.0 114.729 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -63.46 150.56 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.248 1.419 . . . . 0.0 111.132 174.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -65.04 89.97 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.195 0.998 . . . . 0.0 112.274 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -21.65 65.37 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.864 1.266 . . . . 0.0 114.239 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -60.03 -36.21 76.78 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 165.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -65.5 -35.1 79.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 118.694 -0.669 . . . . 0.0 111.712 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -55.89 -47.62 77.07 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.855 0.752 . . . . 0.0 110.522 173.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -63.2 -53.39 53.9 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.881 0.764 . . . . 0.0 113.031 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -63.21 -40.72 98.27 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 117.816 0.28 . . . . 0.0 111.665 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -68.49 -33.18 73.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.006 0.922 . . . . 0.0 112.169 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -54.51 46.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.392 0.677 . . . . 0.0 111.201 173.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -68.4 -36.71 79.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.7 0.4 . . . . 0.0 111.874 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -54.56 -52.26 62.66 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.657 0.783 . . . . 0.0 112.448 169.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -66.15 -40.68 90.74 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.271 0.941 . . . . 0.0 112.289 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -56.38 -51.59 67.74 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.553 1.524 . . . . 0.0 110.638 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -77.0 -10.77 59.59 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -85.79 -45.31 11.73 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.588 1.155 . . . . 0.0 112.39 165.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -47.53 5.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.35 1.86 . . . . 0.0 113.62 -162.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 t -84.14 -32.68 24.54 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.094 0.958 . . . . 0.0 111.042 167.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 125.896 1.678 . . . . 0.0 112.039 173.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.78 HD21 HG22 ' A' ' 18' ' ' VAL . 1.5 tm? . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -67.03 133.64 50.31 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.312 0.645 . . . . 0.0 110.33 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.9 m -59.48 -22.19 61.21 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 -167.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.77 -25.66 66.68 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.543 1.937 . . . . 0.0 114.522 172.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.516 ' HB2' HD11 ' B' ' 10' ' ' LEU . 3.0 m95 -102.28 -32.16 10.19 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.174 0.99 . . . . 0.0 112.627 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -54.17 -49.25 69.75 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.323 1.049 . . . . 0.0 109.394 169.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -34.27 76.5 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.776 -0.63 . . . . 0.0 112.176 -177.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 14' ' ' TRP . 69.5 mt -67.15 -48.54 67.71 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.774 1.23 . . . . 0.0 112.157 176.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.683 HG22 HD21 ' A' ' 10' ' ' LEU . 15.0 p -66.52 -41.14 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 120.016 -0.673 . . . . 0.0 112.193 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.57 ' HG2' HD23 ' A' ' 10' ' ' LEU . 17.3 mtm105 -66.07 -38.16 87.62 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.394 -0.817 . . . . 0.0 110.68 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.39 -41.62 89.8 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.538 1.135 . . . . 0.0 112.606 170.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.76 -43.29 84.48 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.196 0.907 . . . . 0.0 111.323 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mmm -62.6 -42.91 99.85 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -78.0 -28.2 49.2 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -75.06 -28.33 60.33 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.942 0.792 . . . . 0.0 112.411 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.32 25.78 46.38 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 113.034 -170.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.4 t -60.04 150.0 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.549 1.94 . . . . 0.0 111.036 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 67.5 m -58.41 102.75 0.12 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.07 0.948 . . . . 0.0 112.634 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -61.48 -33.99 74.7 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.523 1.129 . . . . 0.0 112.277 -174.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -60.88 -35.14 75.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.413 1.485 . . . . 0.0 114.292 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.97 -32.88 74.41 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.13 0.572 . . . . 0.0 111.901 -176.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.04 -58.75 6.14 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.529 0.604 . . . . 0.0 110.87 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -64.33 -47.95 77.43 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.166 0.986 . . . . 0.0 113.119 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -63.97 -43.36 96.02 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 119.513 -0.28 . . . . 0.0 111.568 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -66.78 -36.0 81.39 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.83 0.741 . . . . 0.0 112.208 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -54.75 42.17 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.144 0.977 . . . . 0.0 110.815 174.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -67.8 -36.01 79.67 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.395 0.678 . . . . 0.0 111.956 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.69 -50.15 72.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.789 0.836 . . . . 0.0 112.595 169.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -67.42 -37.83 83.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.421 1.009 . . . . 0.0 112.632 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -55.99 -48.87 75.05 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.233 1.379 . . . . 0.0 110.254 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -77.69 -5.0 49.0 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -93.92 -48.92 6.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.197 1.399 . . . . 0.0 112.409 167.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -57.98 3.48 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.988 2.115 . . . . 0.0 112.778 -177.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -87.68 -29.96 20.74 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.725 1.21 . . . . 0.0 111.893 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.817 0 C-N-CA 125.415 1.486 . . . . 0.0 112.381 172.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' C' ' 14' ' ' TRP . 3.1 tm? . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . 0.419 ' O ' HD13 ' C' ' 10' ' ' LEU . 8.3 t0 -66.88 130.61 43.73 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.239 0.543 . . . . 0.0 111.588 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 18.1 m -58.06 -25.79 61.69 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.714 -1.241 . . . . 0.0 113.838 -171.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -63.52 -27.53 69.32 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.553 1.941 . . . . 0.0 114.512 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . 0.606 ' HB2' HD11 ' C' ' 10' ' ' LEU . 2.5 m95 -97.68 -32.36 11.8 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.026 0.83 . . . . 0.0 112.668 177.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -54.27 -46.38 72.68 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.264 1.425 . . . . 0.0 110.184 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -33.87 77.01 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.832 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' C' ' 14' ' ' TRP . 47.7 mt -68.23 -48.11 66.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.367 1.067 . . . . 0.0 112.246 176.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.68 -41.7 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.577 -0.702 . . . . 0.0 112.052 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -63.29 -40.42 97.31 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.181 0.992 . . . . 0.0 112.61 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -60.84 -40.24 92.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.156 1.382 . . . . 0.0 113.537 170.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.97 90.26 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.419 -0.801 . . . . 0.0 111.034 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mmm -60.57 -45.48 93.76 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 73.8 p -73.13 -31.14 64.1 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 5.2 t -83.3 4.63 26.3 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.93 20.71 80.02 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.195 -0.94 . . . . 0.0 114.894 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . 0.5 HG13 ' CB ' ' D' ' 38' ' ' GLN . 23.5 t -59.44 144.99 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.596 1.558 . . . . 0.0 111.015 176.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 65.3 m -56.82 110.95 0.89 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.177 0.991 . . . . 0.0 112.171 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -65.59 -28.0 68.82 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -67.89 -40.61 83.46 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.767 0.712 . . . . 0.0 112.368 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -61.96 -29.15 70.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 118.409 0.55 . . . . 0.0 112.381 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -53.75 51.06 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.109 0.868 . . . . 0.0 110.959 171.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -64.23 -49.2 72.89 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.43 1.092 . . . . 0.0 113.0 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.76 -38.97 93.1 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -74.7 -33.66 62.46 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.563 1.145 . . . . 0.0 112.041 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -54.27 33.49 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.641 -0.662 . . . . 0.0 110.299 165.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.42 -32.21 73.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.257 0.623 . . . . 0.0 112.529 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -58.74 -54.64 44.77 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.607 1.163 . . . . 0.0 112.199 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' GLN . . . . . 0.44 ' CB ' HG13 ' D' ' 26' ' ' VAL . 95.0 mm-40 -67.23 -40.85 86.4 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.581 0.628 . . . . 0.0 111.585 177.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -53.69 -41.17 66.64 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.649 0.78 . . . . 0.0 111.17 173.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -53.91 -23.08 11.59 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.641 1.977 . . . . 0.0 114.489 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -116.95 -40.83 3.09 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.542 1.537 . . . . 0.0 113.484 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -74.36 -25.37 59.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.824 1.25 . . . . 0.0 113.79 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 93.8 p -135.07 -20.09 1.71 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.252 1.421 . . . . 0.0 114.036 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.842 0 C-N-CA 126.894 2.078 . . . . 0.0 113.942 170.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.7 tm? . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -63.43 132.09 50.3 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.949 0.499 . . . . 0.0 111.561 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -58.33 -26.35 62.98 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.923 -1.11 . . . . 0.0 113.376 -172.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -61.53 -26.4 67.91 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.752 2.021 . . . . 0.0 114.948 173.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' TRP . . . . . 0.605 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.2 m95 -100.2 -32.1 11.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.826 0.85 . . . . 0.0 112.646 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -55.43 -44.64 76.48 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.518 1.527 . . . . 0.0 111.113 170.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -32.6 74.13 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 177.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' D' ' 14' ' ' TRP . 71.3 mt -68.46 -45.03 73.55 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.343 1.057 . . . . 0.0 112.09 174.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.514 HG22 HD21 ' C' ' 10' ' ' LEU . 11.7 p -67.4 -42.11 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 121.785 -0.572 . . . . 0.0 112.328 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -58.19 -41.72 84.54 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.035 -1.041 . . . . 0.0 112.354 169.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.95 -38.41 78.97 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.92 0.888 . . . . 0.0 112.469 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.12 -44.68 71.92 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.196 0.907 . . . . 0.0 111.076 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.6 mmm -61.52 -40.5 94.85 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.768 0.427 . . . . 0.0 111.857 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 60.8 p -83.46 -32.31 26.09 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -83.77 8.37 14.89 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.17 19.27 78.49 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.193 -0.942 . . . . 0.0 114.484 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . 0.44 HG13 ' CB ' ' C' ' 38' ' ' GLN . 41.6 t -64.9 144.29 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.323 1.449 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 60.9 m -58.82 114.75 2.69 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.92 0.888 . . . . 0.0 111.868 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -66.65 -28.58 68.58 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.319 0.648 . . . . 0.0 112.706 -171.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -65.87 -39.43 90.7 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.453 0.701 . . . . 0.0 112.708 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -60.05 -29.29 68.43 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.306 0.642 . . . . 0.0 112.315 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.24 -56.35 19.18 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.132 0.878 . . . . 0.0 111.515 175.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.45 -45.24 84.53 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.575 0.75 . . . . 0.0 112.69 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.12 -41.7 97.13 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.426 ' HA ' ' HB3' ' D' ' 37' ' ' TYR . 0.0 OUTLIER -73.62 -33.86 64.76 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.301 1.04 . . . . 0.0 112.972 174.511 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -52.53 52.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.842 0.746 . . . . 0.0 109.192 169.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -65.85 -41.07 92.16 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.682 0.793 . . . . 0.0 112.593 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' D' ' 34' ' ' PHE . 3.3 t80 -52.98 -46.83 68.44 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.212 1.405 . . . . 0.0 111.947 175.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' GLN . . . . . 0.5 ' CB ' HG13 ' C' ' 26' ' ' VAL . 82.7 mm-40 -71.84 -43.34 65.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.669 -0.681 . . . . 0.0 112.511 174.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -55.82 -40.23 72.49 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.452 1.024 . . . . 0.0 112.503 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -54.37 -26.27 29.19 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 129.209 3.004 . . . . 0.0 113.591 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -117.08 -38.91 3.29 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.659 1.584 . . . . 0.0 113.607 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -44.69 72.17 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.415 1.086 . . . . 0.0 112.463 176.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 33.3 p -116.47 -22.79 8.57 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 125.148 1.379 . . . . 0.0 113.319 175.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.807 HD21 HG22 ' B' ' 18' ' ' VAL . 1.2 tm? . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 121.575 0.703 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 12.9 t0 -66.79 138.24 57.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.351 1.46 . . . . 0.0 111.713 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 t -58.33 -26.68 63.37 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.585 -1.322 . . . . 0.0 112.66 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.39 -27.68 69.47 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.703 1.601 . . . . 0.0 114.901 173.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.452 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.4 m95 -99.99 -31.98 11.19 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.133 0.879 . . . . 0.0 112.42 176.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -53.94 -47.48 71.22 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.111 1.364 . . . . 0.0 109.98 171.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -33.01 74.92 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.821 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 14' ' ' TRP . 75.7 mt -69.72 -47.9 61.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.604 1.162 . . . . 0.0 111.921 177.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.451 HG22 HD21 ' B' ' 10' ' ' LEU . 11.6 p -67.7 -41.49 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.647 -0.658 . . . . 0.0 111.989 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -65.04 -36.85 85.69 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.832 -1.167 . . . . 0.0 112.759 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.45 -42.24 86.95 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.204 1.002 . . . . 0.0 112.14 167.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.25 -44.78 87.07 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 119.145 0.884 . . . . 0.0 111.049 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.3 mmm -62.63 -48.88 77.44 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.1 p -70.61 -27.69 64.27 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.9 t -74.33 -28.43 61.15 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.276 0.944 . . . . 0.0 112.275 175.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.99 23.33 55.72 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.567 -0.708 . . . . 0.0 113.009 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.417 HG13 ' CB ' ' B' ' 38' ' ' GLN . 16.0 t -58.9 147.11 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.847 1.659 . . . . 0.0 110.367 170.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.5 m -61.28 101.12 0.15 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.767 0.827 . . . . 0.0 112.755 -174.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -62.59 -25.81 68.27 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.549 1.14 . . . . 0.0 113.572 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -65.87 -37.37 85.98 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -63.36 -33.83 76.39 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 119.023 -0.513 . . . . 0.0 111.175 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -56.44 16.82 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.807 0.843 . . . . 0.0 111.164 174.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -64.29 -51.12 65.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.89 0.876 . . . . 0.0 113.173 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -65.89 -38.52 88.97 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -68.96 -33.58 73.93 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.116 0.871 . . . . 0.0 111.946 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' B' ' 21' ' ' ALA . 0.2 OUTLIER -56.77 -54.55 45.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.185 0.594 . . . . 0.0 111.13 171.247 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.12 -36.49 82.02 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -54.86 -54.64 39.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.855 0.862 . . . . 0.0 112.161 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' CB ' HG13 ' B' ' 26' ' ' VAL . 83.7 mm-40 -67.35 -36.8 82.13 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 118.333 -0.842 . . . . 0.0 112.67 177.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -55.83 -52.41 64.14 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.605 1.548 . . . . 0.0 110.811 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -73.82 -13.16 60.89 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -91.56 -49.73 6.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.226 1.41 . . . . 0.0 112.78 169.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -82.45 -51.82 7.47 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.641 2.376 . . . . 0.0 113.155 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -89.0 -33.0 17.34 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.503 0.721 . . . . 0.0 111.447 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.802 0 C-N-CA 125.198 1.399 . . . . 0.0 112.398 174.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.567 HD11 ' HB2' ' B' ' 14' ' ' TRP . 2.6 tm? . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 120.735 0.302 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 9.0 t0 -67.52 137.01 55.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.667 0.787 . . . . 0.0 112.192 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 37.8 t -56.78 -28.67 61.67 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.87 -1.144 . . . . 0.0 112.753 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.38 -25.6 68.09 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.567 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.2 m95 -103.17 -31.25 10.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.26 1.024 . . . . 0.0 112.435 176.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -53.31 -46.34 69.35 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.052 1.341 . . . . 0.0 109.802 170.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -35.13 79.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.234 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 14' ' ' TRP . 74.9 mt -68.08 -48.22 66.13 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.03 1.332 . . . . 0.0 111.795 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.807 HG22 HD21 ' A' ' 10' ' ' LEU . 9.3 p -66.19 -41.34 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.892 -0.505 . . . . 0.0 112.002 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.575 ' HG2' HD23 ' A' ' 10' ' ' LEU . 36.0 mtm105 -65.23 -40.06 93.58 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.293 -0.879 . . . . 0.0 110.888 177.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.72 -41.13 81.15 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.295 1.038 . . . . 0.0 112.475 170.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.48 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -65.3 -43.48 90.95 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 119.243 0.928 . . . . 0.0 111.074 177.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 2.1 mmm -61.74 -46.12 90.97 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -80.22 -27.13 38.83 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.6 t -81.5 1.78 31.87 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 25.36 73.63 Favored Glycine 0 CA--C 1.537 1.443 0 O-C-N 120.69 -1.256 . . . . 0.0 113.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.428 HG13 ' CB ' ' A' ' 38' ' ' GLN . 25.4 t -67.3 148.25 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 110.817 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.5 m -57.55 99.77 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.901 1.28 . . . . 0.0 113.085 -175.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -60.32 -31.87 70.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.12 0.968 . . . . 0.0 112.861 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -64.02 -35.98 82.48 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.185 1.394 . . . . 0.0 113.753 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -64.04 -34.92 79.12 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.135 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -52.38 66.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.954 0.797 . . . . 0.0 111.493 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -64.13 -50.89 66.47 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -64.16 -44.74 91.18 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 119.196 -0.43 . . . . 0.0 111.842 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -26.83 63.81 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.479 1.036 . . . . 0.0 113.023 176.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -56.19 24.43 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.504 1.047 . . . . 0.0 110.875 168.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -67.9 -34.8 77.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.768 0.427 . . . . 0.0 112.056 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -56.25 -54.44 45.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.997 0.919 . . . . 0.0 112.677 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.417 ' CB ' HG13 ' A' ' 26' ' ' VAL . 55.0 mm-40 -66.93 -35.86 80.95 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 118.181 -0.914 . . . . 0.0 112.254 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.04 -51.22 68.59 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 120.934 1.697 . . . . 0.0 110.488 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -75.03 -3.98 35.7 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -46.43 5.0 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.73 1.612 . . . . 0.0 112.466 170.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -55.58 4.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 127.081 2.152 . . . . 0.0 112.625 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.4 t -85.89 -37.05 19.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.729 0.812 . . . . 0.0 111.585 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 124.797 1.239 . . . . 0.0 112.065 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' LEU . . . . . 0.759 HD21 HG22 ' D' ' 18' ' ' VAL . 1.0 OUTLIER . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 120.941 0.4 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -77.46 21.17 0.27 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.187 2.292 . . . . 0.0 117.187 -164.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m 63.54 -32.84 0.12 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 130.18 3.392 . . . . 0.0 115.81 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -63.98 -47.97 78.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 126.037 1.735 . . . . 0.0 110.983 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . 0.586 ' HB2' HD11 ' C' ' 10' ' ' LEU . 4.9 m95 -74.05 -27.43 60.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.658 0.783 . . . . 0.0 111.672 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.17 -51.79 58.96 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.189 1.795 . . . . 0.0 110.808 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -65.2 -28.25 69.25 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.567 176.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.44 -48.71 63.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.478 1.111 . . . . 0.0 113.645 172.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.418 HG22 HD21 ' D' ' 10' ' ' LEU . 9.6 p -64.76 -39.72 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 120.674 -1.266 . . . . 0.0 111.837 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -64.48 -37.95 89.31 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.756 1.222 . . . . 0.0 112.232 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.98 -41.66 83.45 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.42 1.088 . . . . 0.0 112.301 167.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.61 78.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.76 1.164 . . . . 0.0 111.558 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -60.52 -37.68 81.92 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 57.3 p -85.99 -31.2 22.18 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.86 8.49 19.96 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.664 1.12 . . . . 0.0 114.014 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.91 19.83 78.42 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.639 1.114 . . . . 0.0 114.569 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . 0.491 HG13 ' CB ' ' D' ' 38' ' ' GLN . 39.1 t -70.21 146.06 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.761 1.625 . . . . 0.0 111.392 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 62.8 m -59.71 110.01 1.05 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.16 0.984 . . . . 0.0 112.555 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -65.98 -27.54 68.22 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.72 -36.44 82.47 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -62.99 -29.02 70.5 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -54.76 43.13 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.056 0.844 . . . . 0.0 111.216 173.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -65.16 -50.09 67.3 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.233 0.613 . . . . 0.0 112.632 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -65.94 -36.95 84.76 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -74.54 -31.77 62.22 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.398 0.999 . . . . 0.0 112.343 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.45 -53.91 50.37 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.832 0.742 . . . . 0.0 109.93 166.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -60.51 -37.0 79.72 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.503 0.721 . . . . 0.0 112.151 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -62.21 -48.56 79.46 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.701 1.2 . . . . 0.0 113.56 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' GLN . . . . . 0.468 ' CB ' HG13 ' D' ' 26' ' ' VAL . 93.7 mm-40 -68.83 -40.9 79.19 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.053 -1.029 . . . . 0.0 111.228 175.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -54.57 -38.51 66.75 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.801 0.841 . . . . 0.0 111.138 172.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -54.29 -26.27 28.37 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 128.441 2.696 . . . . 0.0 114.484 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -121.66 -40.2 2.57 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.799 1.24 . . . . 0.0 113.257 -177.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -73.13 -22.99 60.42 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.837 1.255 . . . . 0.0 113.149 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -132.68 -26.06 1.83 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.653 1.181 . . . . 0.0 113.423 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 126.641 1.976 . . . . 0.0 114.092 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.7 tm? . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 9.0 t0 -62.15 136.54 57.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.463 0.705 . . . . 0.0 111.928 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -56.2 -30.24 62.01 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.019 -1.051 . . . . 0.0 112.339 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -60.43 -28.27 68.14 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' TRP . . . . . 0.572 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.4 m95 -102.04 -31.09 10.81 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.42 1.009 . . . . 0.0 112.315 177.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -53.77 -48.69 69.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.511 1.124 . . . . 0.0 109.851 170.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -35.83 81.57 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.067 -177.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' D' ' 14' ' ' TRP . 74.6 mt -65.91 -45.64 81.19 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.124 1.369 . . . . 0.0 111.879 176.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.759 HG22 HD21 ' C' ' 10' ' ' LEU . 14.9 p -67.01 -43.06 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 178.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.643 ' HG2' HD23 ' C' ' 10' ' ' LEU . 17.7 mtm105 -63.07 -38.27 90.53 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.719 -0.613 . . . . 0.0 110.492 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.97 -40.18 88.21 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.452 1.101 . . . . 0.0 113.192 170.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.85 84.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.381 0.991 . . . . 0.0 111.196 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 17.3 mmt -57.34 -44.65 84.46 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 173.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 82.8 p -82.97 -31.82 27.39 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.2 t -84.12 7.17 19.69 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.26 21.66 79.2 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.219 0.914 . . . . 0.0 114.405 175.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' C' ' 38' ' ' GLN . 26.2 t -67.29 145.9 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.95 1.7 . . . . 0.0 111.088 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -60.1 108.91 0.85 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.928 0.891 . . . . 0.0 111.889 -174.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -65.36 -26.76 68.16 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -173.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.13 -37.58 86.07 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 118.794 0.725 . . . . 0.0 112.496 172.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -62.38 -28.94 70.12 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.209 0.604 . . . . 0.0 112.361 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.24 -56.57 18.46 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.51 0.595 . . . . 0.0 110.548 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.19 -48.29 68.36 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.077 0.951 . . . . 0.0 113.05 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.41 -40.61 97.08 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -74.58 -32.72 62.47 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.91 0.884 . . . . 0.0 112.557 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -53.57 50.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.802 0.728 . . . . 0.0 110.273 168.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -63.99 -38.71 92.09 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.962 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -57.83 -47.76 81.72 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.727 1.149 . . . . 0.0 113.156 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' GLN . . . . . 0.491 ' CB ' HG13 ' C' ' 26' ' ' VAL . 89.0 mm-40 -69.98 -39.55 75.87 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.02 -1.05 . . . . 0.0 112.024 175.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -55.77 -41.03 73.43 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.086 171.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -57.04 -19.92 21.62 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 129.312 3.045 . . . . 0.0 114.364 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -119.92 -42.9 2.58 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.708 1.603 . . . . 0.0 113.219 -173.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -80.58 -25.88 38.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.917 1.687 . . . . 0.0 113.138 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -131.59 -16.5 3.01 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.285 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 126.769 2.028 . . . . 0.0 114.578 176.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.738 HD21 HG22 ' B' ' 18' ' ' VAL . 0.8 OUTLIER . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -77.11 24.09 0.18 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 -162.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m 63.68 -32.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 130.432 3.493 . . . . 0.0 115.883 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -62.04 -50.53 71.62 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.628 1.971 . . . . 0.0 110.395 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' HB2' HD11 ' A' ' 10' ' ' LEU . 3.6 m95 -75.15 -27.04 59.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.698 1.199 . . . . 0.0 111.947 -175.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -65.95 -50.75 63.28 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.406 1.882 . . . . 0.0 111.215 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -29.5 68.87 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 118.318 -0.848 . . . . 0.0 112.405 176.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.48 -46.19 80.74 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.412 1.085 . . . . 0.0 113.142 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.5 -39.66 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 121.055 -1.028 . . . . 0.0 111.928 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -61.0 -40.26 92.83 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.09 -1.006 . . . . 0.0 112.043 170.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -40.44 80.84 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.237 1.015 . . . . 0.0 112.01 171.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -43.93 79.08 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.582 1.083 . . . . 0.0 111.685 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.9 mmm -62.63 -37.17 85.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.065 0.546 . . . . 0.0 112.163 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -87.59 -34.0 18.69 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -85.58 8.75 18.22 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.16 22.51 68.06 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.425 1.012 . . . . 0.0 115.101 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -73.68 148.03 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.098 1.359 . . . . 0.0 111.979 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.2 m -65.88 103.15 0.87 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.93 0.892 . . . . 0.0 112.923 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -60.83 -27.64 68.22 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.554 1.542 . . . . 0.0 114.137 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -65.96 -35.18 79.89 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -67.36 -30.64 70.5 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 118.778 -0.629 . . . . 0.0 111.868 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -53.39 46.56 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.301 1.04 . . . . 0.0 110.812 174.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -63.5 -50.14 70.82 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.863 0.865 . . . . 0.0 113.005 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -65.22 -36.89 85.57 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -68.88 -35.72 77.22 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.689 0.796 . . . . 0.0 111.492 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -54.79 42.03 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.505 0.722 . . . . 0.0 111.016 170.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.92 -42.98 99.15 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.409 0.549 . . . . 0.0 111.614 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.91 -52.48 60.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.3 1.04 . . . . 0.0 112.362 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.414 ' CB ' HG13 ' B' ' 26' ' ' VAL . 99.1 mm-40 -69.65 -39.33 77.16 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.964 0.802 . . . . 0.0 112.965 177.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -56.11 -49.2 74.55 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.099 1.318 . . . . 0.0 110.806 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -81.96 3.59 25.88 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.53 -46.64 4.5 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.746 -1.222 . . . . 0.0 112.486 164.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -81.03 -50.29 9.86 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 127.336 2.254 . . . . 0.0 113.772 -176.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 t -93.61 -39.79 10.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.715 0.806 . . . . 0.0 112.079 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.935 0 C-N-CA 124.8 1.24 . . . . 0.0 112.237 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.0 tm? . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.413 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 8.7 t0 -63.48 139.48 58.77 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.277 0.56 . . . . 0.0 112.097 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.2 p -58.1 -31.03 66.73 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.798 -1.189 . . . . 0.0 113.407 -176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.34 -28.18 69.83 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.331 1.853 . . . . 0.0 114.789 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.644 ' HB2' HD11 ' B' ' 10' ' ' LEU . 1.9 m95 -99.95 -31.87 11.25 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.231 0.923 . . . . 0.0 112.16 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -54.32 -49.96 68.48 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.232 1.013 . . . . 0.0 109.552 170.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -35.01 77.94 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.769 -0.634 . . . . 0.0 112.293 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 14' ' ' TRP . 68.2 mt -65.94 -45.55 81.4 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.829 1.251 . . . . 0.0 112.457 175.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.738 HG22 HD21 ' A' ' 10' ' ' LEU . 13.6 p -69.81 -42.38 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.638 ' HG2' HD23 ' A' ' 10' ' ' LEU . 16.2 mtm105 -60.72 -39.1 87.35 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.779 0.832 . . . . 0.0 110.29 175.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.84 -41.68 96.29 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.512 1.125 . . . . 0.0 113.258 169.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.89 97.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 119.544 1.065 . . . . 0.0 110.968 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.2 mmt -60.29 -52.44 65.28 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 173.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -73.89 -30.85 62.83 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.37 8.44 27.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.866 1.266 . . . . 0.0 113.517 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.69 26.1 70.43 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.515 1.055 . . . . 0.0 115.184 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.414 HG13 ' CB ' ' A' ' 38' ' ' GLN . 24.2 t -69.9 149.39 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.126 1.37 . . . . 0.0 112.138 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.0 m -56.1 110.0 0.68 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.524 1.13 . . . . 0.0 112.351 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.89 -39.61 95.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.547 0.739 . . . . 0.0 112.141 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -61.57 -35.77 78.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.402 1.481 . . . . 0.0 113.924 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -62.7 -34.84 77.96 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.635 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -51.1 68.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.27 0.941 . . . . 0.0 111.491 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -64.59 -49.2 72.06 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.17 0.988 . . . . 0.0 112.853 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -63.81 -43.14 97.15 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 118.862 -0.59 . . . . 0.0 112.023 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -33.54 76.02 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.5 1.046 . . . . 0.0 112.32 173.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -57.08 13.8 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.242 0.928 . . . . 0.0 111.332 171.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -68.95 -34.43 75.35 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -56.98 -52.68 64.28 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.368 -0.833 . . . . 0.0 112.458 170.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -64.23 -41.29 97.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.705 175.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -56.73 -51.11 70.13 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.517 1.508 . . . . 0.0 111.089 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -83.6 -0.69 51.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -176.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -47.47 5.64 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.598 1.159 . . . . 0.0 112.635 160.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -42.58 13.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.469 1.908 . . . . 0.0 113.575 -165.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 27.6 t -95.09 -31.44 13.56 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.098 0.959 . . . . 0.0 111.578 168.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 125.658 1.583 . . . . 0.0 111.952 173.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' LEU . . . . . 0.722 HD21 HG22 ' D' ' 18' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 111.29 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -67.62 130.57 43.44 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.272 1.029 . . . . 0.0 110.531 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.8 m -57.41 -25.35 59.45 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.071 -1.018 . . . . 0.0 113.541 -172.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.41 -28.31 69.6 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.277 1.831 . . . . 0.0 114.101 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . 0.536 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.2 m95 -93.34 -34.11 13.62 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.472 1.033 . . . . 0.0 112.863 175.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.32 -46.81 72.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.79 1.236 . . . . 0.0 110.299 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -32.12 73.3 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.802 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' C' ' 14' ' ' TRP . 39.2 mt -69.3 -45.66 69.06 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.487 1.115 . . . . 0.0 112.311 175.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.37 -43.04 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.57 -0.706 . . . . 0.0 111.585 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -56.07 -46.56 78.96 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.665 1.186 . . . . 0.0 112.429 170.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -58.22 -42.43 86.25 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.034 1.334 . . . . 0.0 112.958 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.96 91.21 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.465 -0.772 . . . . 0.0 111.636 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 4.6 mmm -59.62 -41.65 90.91 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 70.1 p -80.35 -30.47 38.0 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -82.93 6.99 16.72 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.42 18.26 79.29 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.888 0.756 . . . . 0.0 114.418 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' D' ' 38' ' ' GLN . 17.3 t -62.4 144.86 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.469 1.508 . . . . 0.0 110.82 176.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 74.2 m -58.65 112.67 1.7 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.813 0.845 . . . . 0.0 111.677 -175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -63.53 -32.54 74.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.69 0.796 . . . . 0.0 112.218 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -65.92 -37.3 85.71 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.522 1.129 . . . . 0.0 113.432 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -63.12 -29.08 70.51 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -176.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.33 -46.69 87.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.281 0.946 . . . . 0.0 111.661 172.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -64.71 -48.23 75.4 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.663 0.665 . . . . 0.0 112.218 172.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.9 -36.3 83.93 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -29.68 58.32 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 120.215 1.37 . . . . 0.0 112.001 173.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' D' ' 21' ' ' ALA . 0.2 OUTLIER -56.21 -50.94 69.82 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.924 0.784 . . . . 0.0 110.454 165.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -60.47 -41.85 95.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.393 0.677 . . . . 0.0 112.09 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -57.55 -51.15 70.66 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.054 1.341 . . . . 0.0 112.529 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' GLN . . . . . 0.458 ' CB ' HG13 ' D' ' 26' ' ' VAL . 89.0 mm-40 -71.72 -38.3 70.52 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.765 -0.584 . . . . 0.0 111.789 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -55.79 -37.54 68.72 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.222 0.919 . . . . 0.0 111.244 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.58 -17.97 17.07 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.553 2.741 . . . . 0.0 115.295 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -128.14 -40.9 1.63 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.139 1.375 . . . . 0.0 113.437 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -75.29 -22.62 57.61 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.961 1.304 . . . . 0.0 113.006 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 32.3 t -128.49 -22.9 3.27 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.732 1.213 . . . . 0.0 113.331 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.312 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 127.035 2.134 . . . . 0.0 113.961 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.6 tm? . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.907 0.384 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' ASP . . . . . 0.423 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 8.8 t0 -69.25 137.1 52.84 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.624 0.769 . . . . 0.0 112.071 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.7 t -56.75 -30.15 63.28 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.645 -1.284 . . . . 0.0 113.059 -177.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.89 -24.17 67.63 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' TRP . . . . . 0.59 ' HB2' HD11 ' D' ' 10' ' ' LEU . 1.7 m95 -105.62 -29.52 10.08 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.469 1.108 . . . . 0.0 112.577 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -53.77 -48.54 69.64 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.55 1.14 . . . . 0.0 109.308 169.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -37.52 83.18 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.568 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.04 -50.0 67.91 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.979 1.311 . . . . 0.0 111.928 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.722 HG22 HD21 ' C' ' 10' ' ' LEU . 11.3 p -65.82 -41.15 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.701 0.682 . . . . 0.0 112.65 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.6 ' HG2' HD23 ' C' ' 10' ' ' LEU . 20.5 mtm105 -63.91 -42.42 97.42 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.518 -0.739 . . . . 0.0 110.304 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.04 -37.53 77.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.137 1.375 . . . . 0.0 113.266 172.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' C' ' 35' ' ' LEU . . . -67.24 -44.97 78.12 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.218 -0.927 . . . . 0.0 111.253 174.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mmm -60.9 -36.53 79.47 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 80.8 p -83.19 -32.87 26.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -83.4 8.31 14.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.696 1.135 . . . . 0.0 114.037 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.94 18.76 76.51 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.358 0.98 . . . . 0.0 114.279 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . 0.458 HG13 ' CB ' ' C' ' 38' ' ' GLN . 28.9 t -64.42 142.38 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.267 1.427 . . . . 0.0 110.662 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 75.3 m -58.38 112.98 1.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.049 0.94 . . . . 0.0 111.747 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -63.49 -25.92 68.48 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -172.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -70.22 -34.49 72.95 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.808 0.843 . . . . 0.0 113.27 171.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -62.28 -25.53 67.9 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 123.457 0.703 . . . . 0.0 112.588 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.16 -59.65 4.38 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.567 0.621 . . . . 0.0 111.167 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -63.11 -47.36 83.14 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.741 0.817 . . . . 0.0 112.838 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -66.36 -36.25 82.41 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -72.11 -35.6 69.2 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.063 -1.023 . . . . 0.0 112.017 171.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.28 -49.36 69.77 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.632 -0.668 . . . . 0.0 110.431 170.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.52 -45.85 92.47 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.923 1.289 . . . . 0.0 112.453 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.09 -47.1 68.81 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.871 1.268 . . . . 0.0 112.277 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' GLN . . . . . 0.468 ' CB ' HG13 ' C' ' 26' ' ' VAL . 93.8 mm-40 -74.4 -46.36 40.7 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 175.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.1 -35.15 61.82 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 117.767 -1.111 . . . . 0.0 111.208 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.56 -23.34 10.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.286 2.234 . . . . 0.0 114.615 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -127.24 -38.12 2.0 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.131 1.772 . . . . 0.0 113.109 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -67.93 -21.27 65.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.768 1.227 . . . . 0.0 113.268 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 45.5 p -138.4 -29.32 0.81 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.92 0 C-N-CA 126.124 1.77 . . . . 0.0 113.923 -174.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.658 HD21 HG22 ' B' ' 18' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.49 0.662 . . . . 0.0 111.366 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.7 t0 -69.2 131.67 45.3 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.168 0.987 . . . . 0.0 110.365 175.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -57.17 -25.62 59.27 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.138 -0.976 . . . . 0.0 113.301 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.66 -26.02 68.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.332 1.853 . . . . 0.0 114.885 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.529 ' HB2' HD11 ' A' ' 10' ' ' LEU . 3.3 m95 -99.54 -32.93 10.86 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.273 0.942 . . . . 0.0 112.845 175.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -53.9 -46.6 71.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.341 1.457 . . . . 0.0 110.119 171.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -32.4 73.93 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 118.666 -0.683 . . . . 0.0 112.476 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 14' ' ' TRP . 52.5 mt -70.98 -50.0 39.18 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.813 1.245 . . . . 0.0 111.825 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.88 -42.32 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.874 -0.516 . . . . 0.0 111.773 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.0 ttp180 -62.58 -41.97 99.27 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.883 1.273 . . . . 0.0 112.506 175.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.8 -43.91 85.95 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.991 0.916 . . . . 0.0 112.636 170.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.97 97.81 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.549 0.613 . . . . 0.0 111.212 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.4 mmm -61.65 -44.25 97.32 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.1 p -81.71 -31.61 32.04 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -86.0 6.08 30.4 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.78 18.06 71.24 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.599 1.095 . . . . 0.0 115.492 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.402 HG13 ' CB ' ' B' ' 38' ' ' GLN . 13.1 t -68.44 149.85 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.465 1.506 . . . . 0.0 112.106 178.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.2 m -63.67 97.58 0.16 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.484 1.114 . . . . 0.0 112.695 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -60.07 -27.99 67.43 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.891 1.676 . . . . 0.0 113.862 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -61.25 -36.77 80.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.302 1.041 . . . . 0.0 113.576 169.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -65.64 -34.56 78.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 118.983 -0.532 . . . . 0.0 111.869 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -56.28 -49.37 74.42 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.744 0.702 . . . . 0.0 110.666 173.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -62.92 -53.16 58.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -61.96 -42.8 99.53 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 117.896 0.316 . . . . 0.0 111.35 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.13 -33.8 75.16 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.593 0.757 . . . . 0.0 112.253 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.32 -54.47 46.47 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.655 0.782 . . . . 0.0 111.054 173.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -69.24 -35.65 76.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 122.984 0.514 . . . . 0.0 112.182 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -55.18 -53.41 56.35 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.872 0.869 . . . . 0.0 112.199 167.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' CB ' HG13 ' B' ' 26' ' ' VAL . 95.5 mm-40 -65.79 -36.97 85.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 118.108 -0.949 . . . . 0.0 112.577 177.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -56.29 -50.69 70.68 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.647 1.567 . . . . 0.0 110.079 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -77.32 -12.73 59.99 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.81 -46.57 8.85 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.623 1.556 . . . . 0.0 113.035 167.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -83.29 -52.4 6.6 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.433 2.293 . . . . 0.0 113.313 -174.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -93.17 -35.04 13.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.087 0.955 . . . . 0.0 112.156 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 125.61 1.564 . . . . 0.0 112.389 171.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.1 tm? . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.414 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 6.7 t0 -62.41 137.45 58.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.631 0.772 . . . . 0.0 112.32 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 42.3 t -57.54 -30.53 65.27 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.124 -0.985 . . . . 0.0 112.832 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.63 -26.19 67.84 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.608 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.0 m95 -103.21 -31.59 10.03 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.254 1.022 . . . . 0.0 112.218 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -53.39 -49.15 67.85 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.851 1.26 . . . . 0.0 109.448 169.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -34.79 77.96 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 14' ' ' TRP . 80.8 mt -65.54 -48.62 71.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.534 1.134 . . . . 0.0 111.82 175.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.658 HG22 HD21 ' A' ' 10' ' ' LEU . 11.0 p -66.41 -41.5 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.629 -0.669 . . . . 0.0 112.802 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.627 ' HG2' HD23 ' A' ' 10' ' ' LEU . 16.3 mtm180 -62.65 -41.86 99.28 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.41 -0.807 . . . . 0.0 110.669 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.06 -41.75 84.02 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.589 1.156 . . . . 0.0 112.302 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.44 94.24 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 118.865 0.757 . . . . 0.0 111.405 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.9 mmm -63.05 -42.81 99.8 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 81.8 p -77.92 -28.12 49.6 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.8 t -74.09 -27.3 60.82 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.906 0.775 . . . . 0.0 112.474 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.54 26.6 46.18 Favored Glycine 0 CA--C 1.536 1.402 0 O-C-N 121.379 -0.826 . . . . 0.0 112.841 -169.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.403 HG13 ' CB ' ' A' ' 38' ' ' GLN . 10.3 t -63.08 151.35 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.175 1.79 . . . . 0.0 110.952 173.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 55.7 m -60.96 96.49 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.114 0.966 . . . . 0.0 112.848 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -61.43 -27.67 68.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.633 1.173 . . . . 0.0 113.432 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -66.13 -35.59 80.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.108 1.363 . . . . 0.0 114.202 170.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -67.63 -29.48 68.8 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.226 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.22 -59.34 4.51 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.738 0.699 . . . . 0.0 110.36 173.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.79 -48.31 79.66 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.449 1.1 . . . . 0.0 113.359 -176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -65.2 -41.62 94.35 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 117.995 0.361 . . . . 0.0 111.516 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -68.35 -36.36 79.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.745 0.702 . . . . 0.0 112.249 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -54.74 39.37 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.794 1.238 . . . . 0.0 110.512 174.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.81 -35.45 72.52 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.82 0.848 . . . . 0.0 111.872 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.3 -49.77 71.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.177 0.991 . . . . 0.0 112.324 167.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.402 ' CB ' HG13 ' A' ' 26' ' ' VAL . 82.7 mm-40 -67.7 -39.14 84.41 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.32 0.964 . . . . 0.0 112.739 174.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -55.34 -46.57 76.39 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.63 1.559 . . . . 0.0 109.932 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -81.71 3.83 24.12 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -105.93 -47.71 3.8 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.172 1.389 . . . . 0.0 112.733 165.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.12 -47.73 41.7 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.741 2.016 . . . . 0.0 112.572 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -117.12 -27.93 6.36 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -166.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.944 0 C-N-CA 125.35 1.46 . . . . 0.0 113.37 170.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' LEU . . . . . 0.738 HD21 HG22 ' D' ' 18' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 121.678 0.751 . . . . 0.0 110.535 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' CD1' ' C' ' 14' ' ' TRP . 10.1 t0 -66.27 140.54 58.14 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.355 1.062 . . . . 0.0 111.167 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 90.1 p -57.88 -28.92 64.62 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.969 -1.082 . . . . 0.0 113.101 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.21 -28.66 69.83 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.751 2.02 . . . . 0.0 114.5 175.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . 0.492 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.0 m95 -100.62 -32.5 10.72 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.372 0.987 . . . . 0.0 112.449 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.16 -47.03 72.41 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.741 1.216 . . . . 0.0 110.03 170.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -31.72 72.72 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.608 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' C' ' 14' ' ' TRP . 61.8 mt -69.69 -46.63 65.6 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.792 1.237 . . . . 0.0 112.015 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.479 HG22 HD21 ' D' ' 10' ' ' LEU . 14.9 p -67.17 -40.95 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 120.26 -0.576 . . . . 0.0 112.004 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 32.1 mtm105 -60.57 -41.77 95.31 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.09 -1.006 . . . . 0.0 111.761 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.96 -40.64 81.08 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.44 1.096 . . . . 0.0 112.564 173.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.02 85.4 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.605 -0.684 . . . . 0.0 110.729 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mmm -61.74 -38.31 87.48 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -81.68 -32.27 31.82 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 14.7 t -77.97 -3.43 41.94 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.17 23.03 76.31 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 120.592 -1.318 . . . . 0.0 113.452 -175.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . 0.497 HG13 ' CB ' ' D' ' 38' ' ' GLN . 17.0 t -62.97 145.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.742 1.617 . . . . 0.0 110.136 175.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 58.0 m -57.39 109.01 0.61 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.793 0.837 . . . . 0.0 111.936 -171.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -65.15 -27.21 68.57 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -172.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.0 -39.65 87.17 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.661 0.784 . . . . 0.0 112.639 171.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -59.91 -28.8 67.9 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.306 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -51.2 63.7 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.9 1.227 . . . . 0.0 111.477 173.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -66.54 -47.2 73.61 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.392 0.677 . . . . 0.0 112.692 173.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -63.51 -42.98 98.47 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -32.36 68.45 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.767 1.227 . . . . 0.0 112.724 173.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -54.02 47.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.438 1.017 . . . . 0.0 110.413 166.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.8 -38.53 91.43 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.439 -0.791 . . . . 0.0 112.237 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.34 -51.96 65.06 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.189 1.396 . . . . 0.0 112.241 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' GLN . . . . . 0.472 ' CB ' HG13 ' D' ' 26' ' ' VAL . 90.8 mm-40 -71.57 -40.32 70.03 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.704 -0.622 . . . . 0.0 112.18 176.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -54.11 -39.11 66.11 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.318 0.963 . . . . 0.0 111.25 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -54.86 -26.04 32.71 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 128.0 2.52 . . . . 0.0 114.222 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -117.6 -42.47 2.86 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.413 1.485 . . . . 0.0 113.652 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -72.9 -24.2 60.8 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.311 1.444 . . . . 0.0 113.102 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 42.0 t -129.76 -27.55 2.32 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.587 1.155 . . . . 0.0 113.54 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 126.067 1.747 . . . . 0.0 113.248 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' LEU . . . . . 0.653 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' ASP . . . . . 0.404 ' O ' HD13 ' D' ' 10' ' ' LEU . 9.7 t0 -63.76 131.89 49.26 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.022 0.529 . . . . 0.0 111.434 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.9 m -58.64 -24.04 60.32 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.951 -1.093 . . . . 0.0 113.828 -171.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.57 -31.61 72.45 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.206 1.802 . . . . 0.0 114.275 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' TRP . . . . . 0.653 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.4 m95 -95.17 -31.78 13.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.361 0.982 . . . . 0.0 112.23 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -55.51 -47.87 75.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.984 1.714 . . . . 0.0 110.71 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -32.49 74.08 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.405 -0.81 . . . . 0.0 112.955 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' D' ' 14' ' ' TRP . 54.4 mt -69.27 -47.77 63.65 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.712 1.205 . . . . 0.0 112.025 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.738 HG22 HD21 ' C' ' 10' ' ' LEU . 7.8 p -64.48 -40.54 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 O-C-N 121.455 -0.778 . . . . 0.0 112.484 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.606 ' HG2' HD23 ' C' ' 10' ' ' LEU . 76.4 mtm180 -63.48 -41.31 98.58 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.479 -0.763 . . . . 0.0 110.887 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.01 -38.24 75.79 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.554 1.142 . . . . 0.0 112.952 171.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.1 79.73 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 121.367 -0.833 . . . . 0.0 111.176 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.4 mmm -62.15 -40.49 96.14 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 81.4 p -78.26 -35.58 47.94 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 5.8 t -79.91 5.44 13.83 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.49 22.53 76.53 Favored Glycine 0 CA--C 1.537 1.408 0 O-C-N 121.089 -1.007 . . . . 0.0 113.936 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' C' ' 38' ' ' GLN . 40.5 t -65.11 143.93 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.44 1.496 . . . . 0.0 110.743 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 74.1 m -58.24 110.75 1.01 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.817 0.847 . . . . 0.0 112.102 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -65.36 -27.78 68.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -67.64 -42.84 81.63 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 118.592 0.633 . . . . 0.0 111.874 170.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -60.94 -28.33 68.88 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -55.86 21.18 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.998 0.817 . . . . 0.0 111.107 170.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -66.0 -47.36 74.76 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.32 1.048 . . . . 0.0 113.005 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.18 -37.52 87.6 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.39 -34.34 63.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.271 1.028 . . . . 0.0 111.887 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.15 -52.32 59.12 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.659 -0.651 . . . . 0.0 110.378 166.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -65.18 -36.77 85.25 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.295 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -57.9 -48.84 78.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.732 1.213 . . . . 0.0 112.351 174.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' GLN . . . . . 0.497 ' CB ' HG13 ' C' ' 26' ' ' VAL . 95.5 mm-40 -69.47 -42.99 74.12 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.729 -0.607 . . . . 0.0 111.74 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -52.53 -43.43 65.14 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.089 0.859 . . . . 0.0 110.663 173.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -53.59 -21.64 7.03 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 128.533 2.733 . . . . 0.0 114.636 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -129.08 -37.83 1.66 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.853 1.661 . . . . 0.0 113.697 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -75.58 -28.2 58.86 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.129 1.372 . . . . 0.0 113.047 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 92.4 p -133.53 -16.04 2.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.413 1.085 . . . . 0.0 113.696 175.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.263 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 127.388 2.275 . . . . 0.0 114.403 177.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.641 HD21 HG22 ' B' ' 18' ' ' VAL . 1.1 tm? . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.3 t0 -66.82 137.62 56.74 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.927 1.291 . . . . 0.0 111.438 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -57.4 -29.08 63.81 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.942 -1.099 . . . . 0.0 112.317 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -60.67 -26.84 67.39 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.806 1.642 . . . . 0.0 115.372 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.486 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.6 m95 -102.63 -32.06 10.07 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.277 0.944 . . . . 0.0 112.575 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.5 -47.27 70.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.27 1.428 . . . . 0.0 110.001 170.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -35.16 79.89 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.499 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 14' ' ' TRP . 77.7 mt -67.63 -50.4 58.22 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.505 1.122 . . . . 0.0 111.688 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.429 HG22 HD21 ' B' ' 10' ' ' LEU . 11.6 p -65.71 -42.26 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.793 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 ttp-105 -61.55 -41.65 97.68 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.415 -0.803 . . . . 0.0 112.143 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.11 -40.72 81.93 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.578 1.151 . . . . 0.0 113.088 171.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HB2' HD21 ' B' ' 35' ' ' LEU . . . -67.09 -41.43 86.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.469 1.031 . . . . 0.0 111.389 176.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.2 mmm -62.71 -40.65 97.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.5 p -80.15 -37.27 33.82 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -84.13 5.81 24.78 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.17 17.81 80.17 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.51 1.052 . . . . 0.0 114.996 173.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 t -64.41 150.27 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.187 1.795 . . . . 0.0 111.762 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -61.21 96.61 0.05 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.842 1.257 . . . . 0.0 112.921 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -62.95 -25.36 68.32 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.498 1.119 . . . . 0.0 113.622 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -64.06 -34.55 78.27 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.076 1.35 . . . . 0.0 114.232 169.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -67.22 -32.33 73.32 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 118.879 -0.582 . . . . 0.0 111.899 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.57 -59.55 4.32 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.392 0.677 . . . . 0.0 110.855 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -61.53 -48.08 82.68 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.227 1.011 . . . . 0.0 113.214 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -65.9 -42.36 90.32 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.71 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -66.39 -36.32 82.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.063 0.847 . . . . 0.0 112.068 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.82 39.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.981 1.312 . . . . 0.0 110.635 174.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -69.3 -35.44 76.0 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.455 0.702 . . . . 0.0 112.281 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -54.33 46.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.669 169.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -64.75 -38.59 91.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.941 1.246 . . . . 0.0 112.584 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -54.75 -47.2 74.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 120.422 1.465 . . . . 0.0 109.912 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -76.67 -30.32 56.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -76.39 -41.29 48.4 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 121.075 1.761 . . . . 0.0 112.338 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -81.6 -50.51 9.26 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.051 2.14 . . . . 0.0 113.287 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 m -109.86 -27.5 9.24 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -171.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . 0.264 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 126.618 1.967 . . . . 0.0 112.598 175.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' B' ' 14' ' ' TRP . 2.7 tm? . . . . . 0 N--CA 1.47 0.565 0 CA-C-O 120.74 0.305 . . . . 0.0 111.687 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -63.79 139.61 58.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.857 0.863 . . . . 0.0 112.548 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -58.69 -30.16 67.18 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.796 -1.19 . . . . 0.0 113.611 -175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -64.33 -25.45 68.04 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.281 1.832 . . . . 0.0 114.837 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.606 ' HB2' HD11 ' B' ' 10' ' ' LEU . 1.8 m95 -103.5 -31.05 10.15 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.146 0.978 . . . . 0.0 112.311 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.68 -49.35 68.18 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.287 1.035 . . . . 0.0 109.013 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -34.37 75.83 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' B' ' 14' ' ' TRP . 67.7 mt -67.03 -48.36 68.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.009 1.324 . . . . 0.0 112.265 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.641 HG22 HD21 ' A' ' 10' ' ' LEU . 14.6 p -66.57 -41.83 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.428 -0.795 . . . . 0.0 112.446 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.576 ' HG2' HD23 ' A' ' 10' ' ' LEU . 13.5 mtm105 -65.91 -39.01 90.18 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.405 -0.809 . . . . 0.0 110.714 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.99 -45.79 86.23 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.014 0.926 . . . . 0.0 112.37 170.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.05 99.47 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.664 0.665 . . . . 0.0 111.711 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 2.6 mmm -62.93 -43.46 98.75 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 47.3 p -81.78 -31.62 31.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -86.9 4.24 42.25 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.88 21.49 59.34 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.45 1.024 . . . . 0.0 115.554 174.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 25.2 t -72.74 150.09 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.816 1.246 . . . . 0.0 112.127 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 51.0 m -59.16 102.23 0.12 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.948 1.299 . . . . 0.0 112.956 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -59.48 -33.81 71.8 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.067 1.347 . . . . 0.0 113.169 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -64.44 -36.21 83.43 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.045 1.338 . . . . 0.0 113.789 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -64.6 -33.41 75.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 118.828 -0.606 . . . . 0.0 111.87 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.44 -48.62 78.66 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.769 0.713 . . . . 0.0 110.715 173.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.404 ' HA ' HD22 ' A' ' 17' ' ' LEU . 12.1 tpt180 -63.62 -52.46 60.74 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -63.22 -40.64 98.03 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 117.857 0.299 . . . . 0.0 111.579 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -70.0 -32.96 71.4 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.666 -0.646 . . . . 0.0 112.323 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -57.69 -53.56 56.8 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.851 0.75 . . . . 0.0 110.909 172.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.24 -37.71 86.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.606 0.762 . . . . 0.0 112.035 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.64 -52.61 64.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.664 0.785 . . . . 0.0 112.806 171.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.73 -39.99 95.82 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.432 1.014 . . . . 0.0 111.663 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -56.77 -51.5 68.66 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.887 1.221 . . . . 0.0 111.025 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -78.69 -3.6 44.92 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -48.0 4.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.603 1.161 . . . . 0.0 112.616 164.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -43.97 16.0 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.21 1.804 . . . . 0.0 113.623 -169.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.4 t -98.17 -30.19 12.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.442 1.097 . . . . 0.0 111.86 173.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.83 0 C-N-CA 125.64 1.576 . . . . 0.0 111.859 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' C' ' 14' ' ' TRP . 2.5 tm? . . . . . 0 N--CA 1.467 0.375 0 CA-C-O 120.864 0.364 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . 0.419 ' HB3' ' CD1' ' C' ' 14' ' ' TRP . 6.8 t0 -66.72 138.23 57.25 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.384 0.674 . . . . 0.0 112.065 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -58.31 -28.37 64.97 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.894 -1.128 . . . . 0.0 113.552 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.22 -24.04 65.79 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.126 1.77 . . . . 0.0 114.808 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . 0.601 ' HB2' HD11 ' C' ' 10' ' ' LEU . 2.1 m95 -103.45 -32.06 9.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.936 0.894 . . . . 0.0 112.731 176.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.01 -46.1 68.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.419 1.487 . . . . 0.0 109.892 170.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -34.82 78.83 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.224 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' C' ' 14' ' ' TRP . 65.6 mt -69.14 -48.05 63.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.881 1.273 . . . . 0.0 111.985 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.18 -41.57 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 O-C-N 121.723 -0.611 . . . . 0.0 112.169 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -63.67 -39.68 94.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.734 1.213 . . . . 0.0 112.987 174.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -61.12 -40.62 94.48 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.751 1.22 . . . . 0.0 113.098 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.6 -48.28 75.51 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.477 -0.764 . . . . 0.0 111.665 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 6.3 mmm -57.37 -44.98 84.85 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.709 0.403 . . . . 0.0 111.999 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 44.2 p -77.73 -30.76 51.82 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 3.6 t -84.83 7.86 19.34 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.88 22.16 78.41 Favored Glycine 0 CA--C 1.535 1.331 0 O-C-N 121.072 -1.017 . . . . 0.0 114.906 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . 0.474 HG13 ' CB ' ' D' ' 38' ' ' GLN . 25.0 t -66.46 147.04 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.306 1.443 . . . . 0.0 111.071 175.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 68.3 m -58.19 111.58 1.25 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.971 0.908 . . . . 0.0 112.405 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -62.27 -31.1 71.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.491 1.117 . . . . 0.0 113.341 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -69.28 -37.06 77.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.092 0.957 . . . . 0.0 113.358 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -63.1 -29.38 70.75 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.157 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.91 -49.1 76.62 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 119.233 0.924 . . . . 0.0 111.406 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -64.91 -47.01 79.3 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 171.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.02 -37.26 87.04 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -30.29 56.93 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.699 1.136 . . . . 0.0 112.079 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -50.94 65.7 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.509 -0.744 . . . . 0.0 109.772 165.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.69 -44.62 95.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.002 0.921 . . . . 0.0 111.955 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -52.98 -48.17 67.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.415 1.486 . . . . 0.0 112.113 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' GLN . . . . . 0.438 ' CB ' HG13 ' D' ' 26' ' ' VAL . 86.8 mm-40 -73.02 -43.13 62.47 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.662 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -54.61 -40.43 68.89 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.971 1.26 . . . . 0.0 111.516 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -54.06 -29.75 45.42 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.141 2.576 . . . . 0.0 113.728 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -116.89 -38.87 3.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.114 1.365 . . . . 0.0 113.874 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -74.22 -26.0 59.99 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.182 1.393 . . . . 0.0 113.184 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -131.43 -28.86 1.83 Allowed 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.924 1.69 . . . . 0.0 111.932 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 120.776 0.322 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 7.1 t0 -63.85 135.93 56.98 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.926 0.89 . . . . 0.0 112.187 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 46.8 t -56.55 -29.38 61.9 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.88 -1.138 . . . . 0.0 112.614 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -64.18 -22.99 67.15 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' TRP . . . . . 0.584 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.0 m95 -106.54 -31.82 8.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.354 1.062 . . . . 0.0 112.761 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -51.93 -45.54 64.35 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.404 1.481 . . . . 0.0 110.041 168.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -36.19 82.81 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.325 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.87 -48.29 66.5 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.852 1.261 . . . . 0.0 111.79 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.403 HG22 HD21 ' C' ' 10' ' ' LEU . 8.7 p -66.56 -41.32 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.859 -0.526 . . . . 0.0 112.219 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -64.37 -39.4 93.8 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.975 -1.078 . . . . 0.0 112.981 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -59.61 -41.29 90.02 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.962 1.305 . . . . 0.0 112.594 170.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.57 73.96 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.627 -0.671 . . . . 0.0 112.148 174.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 5.3 mmm -58.55 -40.08 82.02 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.932 0.493 . . . . 0.0 112.107 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 41.4 p -79.94 -32.76 40.03 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -83.07 7.96 14.33 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.68 21.92 79.33 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 120.991 -1.068 . . . . 0.0 114.649 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . 0.438 HG13 ' CB ' ' C' ' 38' ' ' GLN . 19.9 t -64.27 146.81 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.921 1.289 . . . . 0.0 111.126 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 71.8 m -56.82 112.34 1.28 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.306 1.042 . . . . 0.0 111.738 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -64.07 -26.89 68.75 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -70.74 -37.56 73.48 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.631 0.772 . . . . 0.0 112.639 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -59.56 -28.17 66.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.976 0.807 . . . . 0.0 112.832 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.81 -57.36 11.88 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.752 -0.642 . . . . 0.0 111.336 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -63.85 -45.1 91.01 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.37 -41.24 96.82 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.528 0.604 . . . . 0.0 111.74 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -73.23 -36.78 66.52 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.201 0.6 . . . . 0.0 112.298 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -52.79 59.67 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.122 0.569 . . . . 0.0 110.401 171.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -63.25 -41.15 99.03 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 118.634 -0.698 . . . . 0.0 111.52 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -56.57 -44.68 81.22 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.013 0.925 . . . . 0.0 112.768 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' GLN . . . . . 0.474 ' CB ' HG13 ' C' ' 26' ' ' VAL . 92.5 mm-40 -72.38 -40.99 66.84 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.121 -0.987 . . . . 0.0 112.723 173.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -55.77 -41.94 74.78 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.876 1.216 . . . . 0.0 110.815 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -54.1 -31.29 51.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 128.029 2.532 . . . . 0.0 113.327 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -107.77 -42.04 4.84 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.908 1.683 . . . . 0.0 113.869 -175.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -82.46 -28.81 31.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.191 1.796 . . . . 0.0 113.218 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -122.15 -33.64 3.47 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.864 1.266 . . . . 0.0 112.884 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 C-N-CA 125.924 1.69 . . . . 0.0 113.592 173.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 14' ' ' TRP . 2.5 tm? . . . . . 0 N--CA 1.471 0.594 0 CA-C-O 120.824 0.345 . . . . 0.0 111.795 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 7.4 t0 -68.0 138.37 55.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.802 0.841 . . . . 0.0 112.444 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.8 t -55.93 -30.24 61.34 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.879 -1.138 . . . . 0.0 112.868 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -63.43 -25.44 68.28 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.592 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.3 m95 -105.29 -30.05 9.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.463 1.105 . . . . 0.0 112.209 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -53.35 -49.05 67.93 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.602 1.161 . . . . 0.0 109.155 169.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -36.15 79.83 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.838 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.49 -48.07 71.01 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.151 1.381 . . . . 0.0 111.959 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.636 HG22 HD21 ' B' ' 10' ' ' LEU . 14.5 p -66.89 -43.01 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.604 ' HG2' HD23 ' B' ' 10' ' ' LEU . 12.7 mtm105 -62.89 -41.66 99.5 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.51 -0.744 . . . . 0.0 110.024 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.07 -40.93 82.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.489 1.116 . . . . 0.0 113.207 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.7 91.04 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.454 1.024 . . . . 0.0 111.086 177.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mmm -64.66 -42.2 95.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.8 p -81.46 -34.0 31.68 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 t -84.92 8.23 18.29 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.09 18.96 78.2 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.489 1.042 . . . . 0.0 115.072 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.34 150.33 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.787 1.635 . . . . 0.0 111.699 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.8 m -57.62 101.55 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.723 1.209 . . . . 0.0 112.909 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -61.99 -28.87 69.87 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.969 1.307 . . . . 0.0 113.37 -177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.35 -34.93 79.08 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.118 1.367 . . . . 0.0 114.431 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -63.71 -31.86 73.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.144 0.429 . . . . 0.0 111.867 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -57.64 11.47 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.443 0.565 . . . . 0.0 110.868 177.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.49 -50.77 68.36 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.874 0.869 . . . . 0.0 113.103 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -62.27 -44.74 95.83 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 119.252 -0.404 . . . . 0.0 111.319 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -68.34 -32.53 72.7 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.21 0.914 . . . . 0.0 112.311 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' B' ' 21' ' ' ALA . 0.2 OUTLIER -56.4 -56.42 21.35 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.542 0.737 . . . . 0.0 111.645 172.269 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.89 -32.35 69.3 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.738 0.415 . . . . 0.0 112.014 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -56.74 -52.04 66.51 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.218 1.007 . . . . 0.0 112.599 167.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -65.76 -39.46 91.08 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.19 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -55.29 -49.94 70.83 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 120.052 1.296 . . . . 0.0 110.024 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -78.04 -0.99 30.11 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -46.03 4.22 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.863 1.665 . . . . 0.0 112.136 168.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.97 -48.46 13.33 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.32 2.248 . . . . 0.0 113.269 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -97.58 -36.42 10.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.141 0.976 . . . . 0.0 112.265 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 125.117 1.367 . . . . 0.0 112.383 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.636 HD21 HG22 ' A' ' 18' ' ' VAL . 1.4 tm? . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 121.213 0.53 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -64.98 132.34 49.0 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.966 0.906 . . . . 0.0 110.864 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -58.81 -24.69 62.28 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.923 -1.111 . . . . 0.0 113.333 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.31 -28.12 68.98 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.619 1.968 . . . . 0.0 114.682 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' TRP . . . . . 0.549 ' HB2' HD11 ' B' ' 10' ' ' LEU . 3.7 m95 -98.64 -32.58 11.34 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.404 1.002 . . . . 0.0 112.671 177.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -55.02 -46.9 75.28 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.25 1.42 . . . . 0.0 110.303 171.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -31.69 73.0 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 118.486 -0.769 . . . . 0.0 112.824 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' B' ' 14' ' ' TRP . 56.3 mt -70.63 -50.01 41.41 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.584 1.154 . . . . 0.0 111.789 176.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.42 -40.82 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.823 -0.548 . . . . 0.0 111.739 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -65.35 -37.76 88.02 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.178 -0.951 . . . . 0.0 112.418 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.93 -41.02 81.84 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.675 0.79 . . . . 0.0 111.948 168.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -68.2 -44.53 75.63 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.927 1.24 . . . . 0.0 111.574 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 8.6 mmm -62.02 -40.81 96.97 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 76.1 p -84.18 -30.74 25.56 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -88.31 7.98 29.67 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.19 24.17 72.05 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.214 0.911 . . . . 0.0 114.91 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.0 t -74.61 153.79 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.512 1.525 . . . . 0.0 112.098 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 46.2 m -65.54 89.93 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.636 1.174 . . . . 0.0 112.866 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -23.24 66.8 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -62.58 -37.77 87.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.167 0.987 . . . . 0.0 113.317 168.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -64.53 -35.02 79.6 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 119.17 -0.443 . . . . 0.0 111.036 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -49.61 75.76 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.758 0.708 . . . . 0.0 111.493 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.07 -52.24 56.79 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -62.88 -42.32 99.73 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 117.603 0.183 . . . . 0.0 111.35 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -69.34 -32.66 71.88 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.333 1.053 . . . . 0.0 112.46 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -56.73 17.63 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.947 0.794 . . . . 0.0 110.452 171.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -67.81 -33.79 75.47 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.07 0.548 . . . . 0.0 112.027 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -56.93 -54.47 46.2 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.041 0.936 . . . . 0.0 112.733 167.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -65.15 -37.58 87.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.299 0.954 . . . . 0.0 112.194 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -56.21 -49.97 72.58 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.921 1.237 . . . . 0.0 110.693 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -77.19 -2.1 32.81 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -47.47 4.48 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.844 1.657 . . . . 0.0 112.207 170.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.46 -56.49 4.58 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.531 1.933 . . . . 0.0 112.561 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.3 t -91.11 -34.48 15.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.036 0.934 . . . . 0.0 112.195 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.988 0 C-N-CA 124.68 1.192 . . . . 0.0 111.881 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' LEU . . . . . 0.722 HD21 HG22 ' D' ' 18' ' ' VAL . 1.1 tm? . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 121.448 0.642 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -69.0 132.33 46.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.031 0.932 . . . . 0.0 110.623 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 18.5 m -57.82 -24.85 59.31 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.934 -1.104 . . . . 0.0 113.534 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.96 -27.12 69.18 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.196 1.798 . . . . 0.0 114.745 173.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . 0.538 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.0 m95 -98.46 -32.41 11.5 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.02 0.928 . . . . 0.0 112.738 176.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -54.21 -47.44 72.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.726 1.21 . . . . 0.0 110.072 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -33.14 75.19 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.187 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' C' ' 14' ' ' TRP . 67.4 mt -69.54 -47.42 63.76 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.108 1.363 . . . . 0.0 111.934 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.483 HG22 HD21 ' D' ' 10' ' ' LEU . 14.8 p -67.02 -40.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.79 -0.569 . . . . 0.0 112.033 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.415 ' HG2' HD23 ' D' ' 10' ' ' LEU . 32.9 mtm105 -60.55 -43.89 96.73 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.305 -0.872 . . . . 0.0 111.288 171.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.81 -38.66 75.94 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.062 0.945 . . . . 0.0 112.931 172.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.8 80.95 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.111 -0.993 . . . . 0.0 111.137 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 2.4 mmm -62.05 -35.82 79.77 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 82.4 p -89.07 -32.7 17.43 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.725 1.379 . . . . 0.0 114.725 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -85.59 8.36 19.72 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.9 19.69 79.81 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.498 1.047 . . . . 0.0 114.684 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . 0.459 HG13 ' CB ' ' D' ' 38' ' ' GLN . 32.3 t -67.12 147.11 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 126.041 1.736 . . . . 0.0 111.588 -178.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 58.9 m -58.92 111.76 1.41 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.996 0.918 . . . . 0.0 112.123 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -65.93 -31.67 72.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.347 0.659 . . . . 0.0 112.546 -174.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -65.77 -37.33 86.05 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.821 0.848 . . . . 0.0 113.18 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -62.77 -29.24 70.54 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -55.94 27.87 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.163 0.892 . . . . 0.0 110.904 173.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -65.14 -49.8 68.48 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.535 0.734 . . . . 0.0 112.818 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -65.69 -37.15 85.66 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -73.43 -32.32 64.33 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.567 1.076 . . . . 0.0 112.229 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -54.67 40.58 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.625 -0.672 . . . . 0.0 110.173 167.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -60.36 -38.19 83.05 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.572 -0.727 . . . . 0.0 111.78 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -59.87 -49.77 76.4 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.1 1.36 . . . . 0.0 113.36 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' GLN . . . . . 0.413 ' CB ' HG13 ' D' ' 26' ' ' VAL . 83.4 mm-40 -70.53 -40.66 73.32 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.167 -0.958 . . . . 0.0 111.786 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -53.78 -39.24 65.26 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.288 1.035 . . . . 0.0 111.249 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -53.76 -25.44 18.88 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 128.603 2.761 . . . . 0.0 114.494 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -126.54 -36.45 2.26 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.045 1.338 . . . . 0.0 113.007 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -39.65 81.28 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.755 0.822 . . . . 0.0 112.492 170.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -127.81 -22.85 3.48 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -172.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 C-N-CA 126.16 1.784 . . . . 0.0 114.515 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' D' ' 14' ' ' TRP . 3.1 tm? . . . . . 0 C--O 1.234 0.246 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' ASP . . . . . 0.416 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 8.4 t0 -61.08 139.27 58.12 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.42 0.629 . . . . 0.0 112.357 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -56.33 -28.65 59.66 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.041 -1.037 . . . . 0.0 113.602 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.03 -25.5 67.09 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.008 1.723 . . . . 0.0 115.051 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' TRP . . . . . 0.582 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.7 m95 -102.47 -32.06 10.15 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.1 0.96 . . . . 0.0 112.184 177.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.26 -47.88 71.79 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.415 1.486 . . . . 0.0 110.347 170.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -36.16 79.84 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 118.874 -0.584 . . . . 0.0 112.1 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' D' ' 14' ' ' TRP . 68.0 mt -68.34 -48.03 65.93 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.963 1.305 . . . . 0.0 112.227 178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.722 HG22 HD21 ' C' ' 10' ' ' LEU . 9.4 p -65.52 -41.69 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.751 -0.593 . . . . 0.0 112.323 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.667 ' HG2' HD23 ' C' ' 10' ' ' LEU . 76.9 mtm180 -64.85 -39.96 94.38 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.519 -0.738 . . . . 0.0 110.554 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.04 -40.32 80.61 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.52 1.128 . . . . 0.0 113.01 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.35 89.46 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.995 0.816 . . . . 0.0 110.976 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mmm -62.23 -40.78 97.28 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p -80.38 -32.07 37.68 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 4.0 t -83.42 7.3 17.24 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.74 18.09 75.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.59 1.09 . . . . 0.0 114.434 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . 0.413 HG13 ' CB ' ' C' ' 38' ' ' GLN . 41.4 t -64.93 145.49 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.542 1.537 . . . . 0.0 111.203 -177.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 43.6 m -56.82 106.55 0.31 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.671 1.189 . . . . 0.0 112.42 -174.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -64.51 -27.94 69.32 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -66.64 -37.42 84.79 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.841 0.856 . . . . 0.0 113.141 172.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.86 -29.01 70.25 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.894 -0.574 . . . . 0.0 112.383 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -55.89 27.27 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.235 0.925 . . . . 0.0 110.897 172.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ARG . . . . . 0.421 ' HA ' HD22 ' C' ' 17' ' ' LEU . 4.1 tpt180 -65.81 -49.4 68.4 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.621 0.769 . . . . 0.0 112.927 178.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -67.26 -35.93 80.53 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -74.74 -31.41 61.8 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.603 1.092 . . . . 0.0 112.126 174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -52.51 61.63 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.51 -0.744 . . . . 0.0 110.049 166.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.77 -40.24 91.79 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.307 -0.854 . . . . 0.0 112.002 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -59.71 -45.27 92.64 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.078 1.351 . . . . 0.0 113.746 176.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' GLN . . . . . 0.459 ' CB ' HG13 ' C' ' 26' ' ' VAL . 94.7 mm-40 -71.17 -45.16 64.06 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.301 -0.874 . . . . 0.0 111.276 175.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -53.29 -36.3 61.06 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.295 173.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -53.99 -25.12 19.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 129.73 3.212 . . . . 0.0 114.787 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -126.36 -38.94 2.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.642 1.577 . . . . 0.0 112.696 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -35.45 81.06 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.131 0.972 . . . . 0.0 112.092 175.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -129.64 -24.05 2.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.969 0 C-N-CA 125.936 1.694 . . . . 0.0 113.963 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 112.238 -0.345 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -78.68 55.54 1.69 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.851 1.66 . . . . 0.0 113.356 -176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -70.2 157.1 38.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.829 1.251 . . . . 0.0 113.376 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.7 mmt 64.87 166.35 0.17 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.321 2.248 . . . . 0.0 115.964 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -83.93 9.54 11.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.735 1.614 . . . . 0.0 113.424 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -161.57 156.58 23.5 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.47 1.508 . . . . 0.0 111.574 -159.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -150.43 50.15 0.89 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.969 0.908 . . . . 0.0 112.81 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.88 11.64 60.99 Favored Glycine 0 CA--C 1.54 1.644 0 O-C-N 121.125 -0.984 . . . . 0.0 114.226 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -150.52 140.71 22.18 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.697 2.399 . . . . 0.0 109.43 -168.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.62 HD21 HG22 ' B' ' 18' ' ' VAL . 0.7 OUTLIER -70.85 127.93 34.29 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.638 0.732 . . . . 0.0 111.185 174.639 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 10.2 t0 -66.7 138.98 57.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.107 1.363 . . . . 0.0 111.519 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 t -57.08 -29.29 63.34 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.013 -1.054 . . . . 0.0 112.482 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.43 -29.43 69.94 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.425 1.49 . . . . 0.0 114.952 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.519 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.1 m95 -99.68 -31.82 11.37 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.168 0.895 . . . . 0.0 112.114 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -53.48 -47.63 69.62 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.193 1.397 . . . . 0.0 109.628 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -33.01 74.75 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 118.52 -0.752 . . . . 0.0 112.657 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 14' ' ' TRP . 66.8 mt -67.77 -46.21 72.68 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.586 1.154 . . . . 0.0 111.802 175.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG22 HD21 ' B' ' 10' ' ' LEU . 14.4 p -69.59 -42.74 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.486 ' HG2' HD23 ' B' ' 10' ' ' LEU . 35.0 mtm105 -58.82 -42.67 89.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.56 1.144 . . . . 0.0 111.583 171.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.37 -42.75 87.68 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.453 1.101 . . . . 0.0 112.842 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.42 99.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.752 0.706 . . . . 0.0 110.986 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -63.0 -42.36 99.83 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.4 p -77.73 -29.66 51.26 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -73.2 -24.77 60.56 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.485 0.714 . . . . 0.0 112.358 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.96 25.12 56.61 Favored Glycine 0 CA--C 1.536 1.374 0 O-C-N 121.38 -0.825 . . . . 0.0 112.666 -170.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.2 t -62.52 147.08 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.537 1.535 . . . . 0.0 110.516 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.8 m -60.44 99.26 0.08 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.6 1.16 . . . . 0.0 112.488 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -63.37 -24.76 67.99 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.4 1.08 . . . . 0.0 113.479 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -64.88 -36.83 85.62 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.839 1.256 . . . . 0.0 114.17 168.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -64.66 -32.13 73.66 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.982 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.29 -55.58 26.9 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.574 0.625 . . . . 0.0 110.534 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.87 -49.83 71.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.019 0.928 . . . . 0.0 113.162 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -62.05 -44.53 96.48 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 117.691 0.223 . . . . 0.0 111.555 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -68.24 -33.06 73.7 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.55 0.74 . . . . 0.0 112.33 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -57.77 10.72 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.038 0.935 . . . . 0.0 111.024 171.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -67.62 -34.4 76.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.7 0.4 . . . . 0.0 111.779 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -56.47 -53.2 60.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.083 0.953 . . . . 0.0 112.717 169.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -67.34 -37.38 83.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.22 0.918 . . . . 0.0 112.67 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -55.93 -48.54 75.53 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.318 1.417 . . . . 0.0 110.643 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -78.41 -0.42 29.14 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.5 -45.54 4.82 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.232 1.413 . . . . 0.0 112.533 168.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -82.47 -47.13 12.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.66 2.384 . . . . 0.0 113.44 -176.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.1 t -99.91 -41.93 7.0 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.118 0.967 . . . . 0.0 112.323 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.56 37.97 28.96 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.017 1.327 . . . . 0.0 112.965 -175.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -63.43 163.38 10.94 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.734 1.613 . . . . 0.0 112.604 168.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -142.62 158.31 43.79 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.413 1.485 . . . . 0.0 111.387 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.709 1.604 . . . . 0.0 112.586 178.803 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t 62.51 -59.72 0.13 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.011 2.524 . . . . 0.0 115.961 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 2.6 m80 54.66 20.32 2.89 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.715 2.006 . . . . 0.0 114.833 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.7 mtm 56.46 27.2 11.81 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.117 1.767 . . . . 0.0 114.238 -170.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -56.5 110.32 0.76 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.512 1.125 . . . . 0.0 111.318 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.418 ' HE2' HD22 ' B' ' 10' ' ' LEU 0.275 57.8 m-85 59.13 -4.23 0.08 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 117.755 2.502 . . . . 0.0 117.755 -172.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -82.55 9.87 8.48 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.46 1.504 . . . . 0.0 112.581 162.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.02 -39.62 0.46 Allowed Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.499 1.047 . . . . 0.0 113.588 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -76.4 146.56 38.6 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 117.803 0.802 . . . . 0.0 111.689 173.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.3 tm? -136.65 145.94 45.41 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.899 1.679 . . . . 0.0 110.778 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.404 ' O ' HD13 ' B' ' 10' ' ' LEU . 9.6 t0 -66.7 140.35 57.88 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.493 0.664 . . . . 0.0 112.141 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 90.3 p -59.79 -26.3 65.63 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 120.706 -1.246 . . . . 0.0 114.162 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -68.78 -29.92 68.4 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.364 1.866 . . . . 0.0 114.023 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.635 ' HB2' HD11 ' B' ' 10' ' ' LEU . 1.8 m95 -97.49 -30.58 12.81 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.183 0.901 . . . . 0.0 111.778 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -53.65 -50.16 66.36 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.687 1.595 . . . . 0.0 109.89 172.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -31.67 72.99 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' B' ' 14' ' ' TRP . 70.9 mt -69.77 -47.81 61.6 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.23 . . . . 0.0 112.019 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.62 HG22 HD21 ' A' ' 10' ' ' LEU . 11.6 p -65.61 -41.87 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.673 -0.642 . . . . 0.0 112.14 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -63.53 -41.84 98.45 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.684 -0.635 . . . . 0.0 110.083 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.57 -42.81 83.84 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.659 1.184 . . . . 0.0 112.289 171.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.47 96.02 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.262 0.937 . . . . 0.0 111.23 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -62.75 -42.49 99.7 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 77.1 p -86.93 -28.77 22.56 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -88.34 8.39 27.8 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.75 22.48 72.08 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.567 1.08 . . . . 0.0 114.958 173.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 43.0 t -73.06 148.47 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.97 1.308 . . . . 0.0 111.706 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m -58.92 104.13 0.21 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.866 1.266 . . . . 0.0 112.998 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -58.95 -33.26 70.41 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.023 1.329 . . . . 0.0 113.127 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.41 -34.75 77.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.244 1.418 . . . . 0.0 114.151 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -65.9 -31.17 71.96 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.907 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.37 -54.62 41.39 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.23 0.612 . . . . 0.0 110.947 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -64.95 -49.8 68.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.766 0.826 . . . . 0.0 112.917 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -66.11 -37.61 86.15 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -70.03 -33.92 72.6 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.013 0.824 . . . . 0.0 111.692 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -54.15 49.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.4 0.68 . . . . 0.0 110.445 169.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -61.41 -41.98 98.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.347 0.659 . . . . 0.0 111.865 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -56.51 19.27 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.609 0.764 . . . . 0.0 111.71 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -65.41 -37.45 87.0 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.448 1.022 . . . . 0.0 112.42 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -55.17 -49.7 71.18 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.052 1.296 . . . . 0.0 110.326 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -80.44 -4.04 52.18 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -46.75 5.19 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.081 1.31 . . . . 0.0 112.59 166.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -77.19 -48.33 17.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.739 2.016 . . . . 0.0 113.106 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -98.64 -30.52 12.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.964 0.906 . . . . 0.0 112.267 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.25 53.64 7.53 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.64 1.576 . . . . 0.0 111.849 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -65.66 -27.34 68.3 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -164.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 47.07 38.19 6.19 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.029 1.732 . . . . 0.0 114.836 174.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 . . . . . 0 C--O 1.254 1.333 0 C-N-CA 125.905 1.682 . . . . 0.0 114.505 -174.231 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -153.14 163.66 39.46 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.305 1.442 . . . . 0.0 111.602 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -65.18 136.25 56.43 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.608 1.163 . . . . 0.0 112.588 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -81.07 154.44 26.82 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.902 1.681 . . . . 0.0 113.261 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -85.3 3.1 41.22 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.64 1.576 . . . . 0.0 114.382 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -152.57 150.57 29.68 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.125 0.97 . . . . 0.0 112.775 -166.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -136.57 27.48 3.06 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.201 1.4 . . . . 0.0 113.188 -170.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.2 22.87 77.15 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 121.049 -1.032 . . . . 0.0 113.716 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.28 120.66 8.44 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.492 1.917 . . . . 0.0 109.748 -169.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' LEU . . . . . 0.748 HD21 HG22 ' D' ' 18' ' ' VAL . 0.7 OUTLIER -70.71 127.38 32.47 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.969 0.89 . . . . 0.0 109.997 172.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -85.0 20.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -153.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.6 t 64.2 -35.77 0.17 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 130.039 3.336 . . . . 0.0 115.119 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.64 -26.02 67.62 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.503 1.921 . . . . 0.0 112.506 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.8 m95 -97.15 -32.02 12.16 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.371 1.068 . . . . 0.0 112.326 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.88 -47.47 80.39 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.156 1.783 . . . . 0.0 110.182 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -33.06 74.66 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.09 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' C' ' 14' ' ' TRP . 52.6 mt -70.5 -49.81 44.48 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.946 1.298 . . . . 0.0 112.384 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.48 -42.45 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.527 -0.733 . . . . 0.0 111.839 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -62.41 -42.68 99.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.516 1.126 . . . . 0.0 112.546 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -58.23 -41.04 83.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.062 1.345 . . . . 0.0 113.357 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.22 81.78 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.577 -0.702 . . . . 0.0 111.171 174.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 6.2 mmm -58.39 -40.53 82.61 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 73.6 p -78.98 -31.7 44.99 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.7 t -81.72 5.45 18.42 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.34 20.65 79.57 Favored Glycine 0 CA--C 1.536 1.38 0 O-C-N 121.358 -0.839 . . . . 0.0 114.379 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . 0.498 HG13 ' CB ' ' D' ' 38' ' ' GLN . 25.2 t -65.01 144.93 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.983 1.313 . . . . 0.0 110.741 175.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 70.5 m -59.12 111.19 1.24 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.016 0.927 . . . . 0.0 112.186 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -61.55 -29.21 69.86 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -174.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -69.8 -34.36 73.61 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.84 0.856 . . . . 0.0 112.889 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -63.38 -30.6 71.7 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 117.775 -1.107 . . . . 0.0 111.782 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -59.19 -45.21 91.67 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.859 1.209 . . . . 0.0 111.859 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -64.53 -47.14 79.95 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.795 0.725 . . . . 0.0 112.472 171.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -65.09 -39.43 93.17 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.38 -40.34 93.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.481 1.513 . . . . 0.0 111.52 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -53.82 51.72 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 117.944 0.338 . . . . 0.0 110.739 171.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -62.06 -42.01 98.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.438 0.695 . . . . 0.0 112.248 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.46 -46.58 83.48 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.058 1.743 . . . . 0.0 112.918 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -74.52 -40.33 61.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.366 0.985 . . . . 0.0 112.578 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -54.32 -34.24 60.59 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.429 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -17.41 7.66 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 128.793 2.837 . . . . 0.0 115.283 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -132.14 -37.57 1.12 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.169 1.388 . . . . 0.0 113.156 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -70.41 -25.04 63.05 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.78 1.232 . . . . 0.0 113.213 175.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 43.6 t -132.77 -20.73 2.23 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.897 1.279 . . . . 0.0 113.468 172.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.294 0.0 OUTLIER 66.47 30.61 8.57 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.663 1.985 . . . . 0.0 114.055 -178.493 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -63.89 135.59 56.67 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.529 0.732 . . . . 0.0 109.936 159.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -155.03 156.69 36.39 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.762 0.825 . . . . 0.0 112.874 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.918 1.687 . . . . 0.0 113.722 -173.78 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 112.194 -0.362 . . . . 0.0 112.194 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m 57.76 32.25 21.62 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.588 1.555 . . . . 0.0 114.876 176.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.7 157.81 37.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.569 1.148 . . . . 0.0 112.866 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -74.33 -14.35 60.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.959 1.304 . . . . 0.0 114.196 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -68.42 139.12 55.77 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.394 1.077 . . . . 0.0 112.593 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -99.78 162.36 13.05 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.309 1.444 . . . . 0.0 111.672 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -127.25 13.83 7.18 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.948 1.699 . . . . 0.0 113.162 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.62 -30.39 6.69 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 126.396 1.951 . . . . 0.0 113.236 -172.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -73.12 121.36 20.11 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.736 1.268 . . . . 0.0 111.378 173.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' D' ' 14' ' ' TRP . 3.1 tm? -86.95 144.43 26.94 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.71 1.204 . . . . 0.0 110.858 172.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.456 ' O ' HD13 ' D' ' 10' ' ' LEU . 7.0 t0 -67.39 132.02 46.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.725 0.81 . . . . 0.0 112.007 178.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -57.89 -25.98 61.52 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.607 -1.308 . . . . 0.0 113.717 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.16 -23.27 67.26 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.112 1.765 . . . . 0.0 115.241 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' TRP . . . . . 0.642 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.1 m95 -104.79 -31.65 9.22 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.383 1.073 . . . . 0.0 112.504 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.47 -44.73 72.83 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.007 1.323 . . . . 0.0 110.691 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -36.62 82.65 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.858 -0.591 . . . . 0.0 112.403 177.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.54 -48.42 69.75 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.763 1.225 . . . . 0.0 111.856 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.748 HG22 HD21 ' C' ' 10' ' ' LEU . 7.5 p -65.33 -41.47 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.591 ' HG2' HD23 ' C' ' 10' ' ' LEU . 69.7 mtm180 -62.78 -41.49 99.27 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.499 -0.75 . . . . 0.0 110.839 176.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.09 -39.06 77.62 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.399 1.08 . . . . 0.0 112.976 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.51 80.71 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.289 -0.882 . . . . 0.0 111.518 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.8 mmm -60.88 -38.9 87.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.42 0.288 . . . . 0.0 111.746 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 76.9 p -82.51 -33.39 28.3 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -84.62 8.26 17.44 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.44 21.22 78.67 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.301 0.953 . . . . 0.0 114.438 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.59 145.36 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.238 1.415 . . . . 0.0 111.082 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 49.8 m -58.14 109.1 0.69 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.28 1.032 . . . . 0.0 112.366 -174.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -63.73 -27.31 69.11 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -174.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -70.49 -37.0 74.14 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -64.43 -25.66 68.11 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-O 118.751 -0.643 . . . . 0.0 112.632 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' PHE . . . . . 0.451 ' HB3' HD13 ' C' ' 17' ' ' LEU . 0.5 OUTLIER -52.26 -56.68 13.17 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.058 0.845 . . . . 0.0 110.455 170.457 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -64.62 -47.9 76.89 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.229 1.011 . . . . 0.0 112.821 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -64.73 -37.43 87.56 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -71.06 -36.09 72.15 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.136 -0.978 . . . . 0.0 112.052 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.16 -51.62 63.73 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.847 -0.533 . . . . 0.0 110.487 170.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.3 -38.1 89.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.181 0.992 . . . . 0.0 112.172 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -58.06 -48.42 80.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.725 1.21 . . . . 0.0 112.803 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLN . . . . . 0.498 ' CB ' HG13 ' C' ' 26' ' ' VAL . 89.0 mm-40 -70.8 -41.14 72.01 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.367 -0.833 . . . . 0.0 112.284 175.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -54.77 -38.44 67.23 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.432 1.014 . . . . 0.0 111.115 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -54.48 -26.04 28.99 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 128.092 2.557 . . . . 0.0 114.55 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -121.01 -40.36 2.62 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.544 1.138 . . . . 0.0 113.433 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -72.85 -23.44 60.75 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.176 1.39 . . . . 0.0 113.008 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -130.4 -27.74 2.16 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.538 1.135 . . . . 0.0 113.299 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.79 26.0 15.84 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.279 1.832 . . . . 0.0 113.98 174.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -76.11 -30.98 58.45 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.034 1.334 . . . . 0.0 114.549 -174.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 54.55 25.9 6.73 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.308 1.843 . . . . 0.0 114.777 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.73 1.612 . . . . 0.0 113.916 -179.545 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.733 -0.547 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -68.99 154.82 41.41 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.092 0.957 . . . . 0.0 112.763 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.66 150.74 47.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.417 1.087 . . . . 0.0 113.028 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 tpp -139.08 131.7 28.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.187 1.395 . . . . 0.0 111.425 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -72.75 140.21 47.62 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -143.45 141.78 30.95 Favored 'General case' 0 N--CA 1.476 0.861 1 C-N-CA 132.013 4.125 . . . . 0.0 109.184 0.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -138.35 19.78 2.75 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.592 1.157 . . . . 0.0 114.07 -169.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.58 -31.24 8.45 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.907 1.718 . . . . 0.0 113.447 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.91 122.27 20.51 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.754 1.222 . . . . 0.0 111.042 173.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.654 HD21 HG22 ' B' ' 18' ' ' VAL . 1.7 tm? -73.79 128.02 34.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.082 0.468 . . . . 0.0 110.624 169.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -64.9 140.27 58.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.574 0.702 . . . . 0.0 111.749 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -59.44 -28.28 66.82 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 120.95 -1.094 . . . . 0.0 113.641 -173.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -64.44 -27.35 68.93 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.553 1.941 . . . . 0.0 114.184 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.539 ' HB2' HD11 ' A' ' 10' ' ' LEU . 1.9 m95 -101.3 -31.8 10.8 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.123 0.874 . . . . 0.0 112.776 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -53.79 -47.05 71.17 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.683 1.193 . . . . 0.0 109.71 170.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -33.33 75.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.644 -179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 14' ' ' TRP . 63.9 mt -69.04 -47.82 64.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.678 1.191 . . . . 0.0 112.223 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.27 -41.78 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.76 -0.587 . . . . 0.0 111.913 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -64.73 -38.72 91.95 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.35 -0.844 . . . . 0.0 111.865 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.68 -39.89 86.03 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.839 1.256 . . . . 0.0 113.343 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.72 90.56 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 119.139 0.881 . . . . 0.0 110.604 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mmm -62.54 -41.93 99.21 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -79.1 -31.82 44.41 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -81.73 4.16 22.96 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.71 23.6 73.98 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 120.767 -1.208 . . . . 0.0 114.024 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.423 HG13 ' CB ' ' B' ' 38' ' ' GLN . 17.7 t -66.76 148.11 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.523 1.529 . . . . 0.0 110.665 177.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.8 m -61.52 102.13 0.22 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.707 0.803 . . . . 0.0 112.666 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -61.55 -28.72 69.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.866 1.266 . . . . 0.0 113.66 -176.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -64.99 -34.86 79.44 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.117 1.367 . . . . 0.0 114.063 171.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.57 -30.64 70.99 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.25 -54.21 43.15 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.77 0.428 . . . . 0.0 110.713 172.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -63.45 -49.37 73.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.926 0.89 . . . . 0.0 112.865 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.44 -40.3 95.47 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -69.88 -34.43 73.55 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.749 0.704 . . . . 0.0 112.128 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -55.91 27.96 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.584 0.753 . . . . 0.0 110.841 171.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -66.67 -37.64 85.2 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -53.44 -56.94 12.68 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.298 0.639 . . . . 0.0 111.758 169.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.72 -38.97 90.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.385 0.993 . . . . 0.0 112.162 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -56.36 -51.01 69.87 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.452 1.478 . . . . 0.0 110.838 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -76.74 -12.74 60.03 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -88.52 -48.0 7.91 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.968 1.307 . . . . 0.0 112.337 167.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -43.17 9.81 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.014 2.126 . . . . 0.0 113.312 -163.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -101.02 -26.01 13.86 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.567 1.147 . . . . 0.0 111.638 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.1 63.05 1.3 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.197 1.799 . . . . 0.0 111.144 169.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -62.09 -46.01 90.98 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.645 1.578 . . . . 0.0 114.424 -157.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 53.35 -166.69 0.07 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.704 1.602 . . . . 0.0 113.523 -170.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.186 1.794 . . . . 0.0 113.109 177.567 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -70.48 160.47 32.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.618 1.167 . . . . 0.0 113.078 176.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -150.62 158.56 44.3 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.357 1.463 . . . . 0.0 111.209 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 25.9 ptp -144.43 145.11 31.72 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.923 1.289 . . . . 0.0 111.336 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -94.5 165.42 12.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 113.132 -172.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -71.29 152.91 42.82 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.257 1.023 . . . . 0.0 112.233 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -137.81 14.14 2.91 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.737 1.615 . . . . 0.0 113.332 -172.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.08 -26.99 6.9 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.185 1.85 . . . . 0.0 112.84 -169.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -63.58 154.75 31.69 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.807 1.243 . . . . 0.0 111.977 169.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.0 tm? -135.65 137.43 41.85 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.768 1.627 . . . . 0.0 109.84 172.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -62.76 132.79 53.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.935 0.494 . . . . 0.0 111.763 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -58.5 -25.31 62.23 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.945 -1.097 . . . . 0.0 113.369 -173.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -61.28 -29.52 69.91 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.097 1.759 . . . . 0.0 114.778 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.657 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.5 m95 -99.21 -31.85 11.52 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.38 0.991 . . . . 0.0 112.147 178.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -53.8 -50.51 65.94 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.286 1.034 . . . . 0.0 109.492 170.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -31.97 72.65 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' B' ' 14' ' ' TRP . 60.6 mt -68.64 -48.03 65.08 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.078 1.351 . . . . 0.0 111.886 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.654 HG22 HD21 ' A' ' 10' ' ' LEU . 13.4 p -65.83 -42.88 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 177.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.55 ' HG2' HD23 ' A' ' 10' ' ' LEU . 8.3 mtm105 -61.6 -42.26 98.62 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.852 0.861 . . . . 0.0 110.304 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.26 -40.96 83.18 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.702 1.201 . . . . 0.0 113.378 171.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.57 94.86 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 119.015 0.825 . . . . 0.0 111.134 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.5 mmm -64.84 -42.6 94.78 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -78.09 -32.81 50.81 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 5.4 t -82.24 3.42 27.51 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.06 22.24 74.07 Favored Glycine 0 CA--C 1.537 1.432 0 O-C-N 120.868 -1.145 . . . . 0.0 114.387 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 37.1 t -64.03 147.01 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.33 1.452 . . . . 0.0 110.68 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m -55.7 107.93 0.39 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.421 1.088 . . . . 0.0 112.592 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -63.85 -34.13 77.24 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.865 0.866 . . . . 0.0 112.026 -173.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -63.27 -39.65 95.19 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.161 1.384 . . . . 0.0 113.908 174.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.58 -29.73 70.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.227 0.611 . . . . 0.0 112.383 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.93 -54.08 49.0 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.42 0.554 . . . . 0.0 110.982 173.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.88 -48.14 72.5 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.872 0.869 . . . . 0.0 112.673 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.14 -42.58 99.39 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -69.98 -33.05 71.57 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.564 -0.71 . . . . 0.0 112.215 176.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -52.66 64.17 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.479 0.581 . . . . 0.0 110.766 170.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -62.91 -40.89 98.96 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.249 0.477 . . . . 0.0 111.678 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -54.97 -54.59 40.83 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.562 -0.711 . . . . 0.0 112.186 173.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.423 ' CB ' HG13 ' A' ' 26' ' ' VAL . 88.3 mm-40 -66.39 -39.14 88.87 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 119.1 0.864 . . . . 0.0 112.401 177.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -56.29 -51.04 69.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.652 1.569 . . . . 0.0 110.744 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -81.18 -9.45 59.79 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -89.82 -48.4 7.27 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.267 1.394 . . . . 0.0 112.812 165.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -80.15 -51.62 8.76 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.122 2.169 . . . . 0.0 113.236 -173.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -93.09 -34.04 13.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.885 0.874 . . . . 0.0 112.14 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.14 44.93 18.36 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.072 1.349 . . . . 0.0 112.29 174.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -59.81 139.02 57.62 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.962 1.305 . . . . 0.0 112.617 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -87.31 -3.71 59.04 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.471 1.909 . . . . 0.0 114.129 -177.623 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -63.91 146.68 53.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.613 1.165 . . . . 0.0 113.101 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 155.94 39.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.92 0.888 . . . . 0.0 113.147 176.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -71.37 -2.32 16.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.489 1.515 . . . . 0.0 114.487 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -71.35 -1.82 14.25 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -144.29 147.29 33.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.808 1.243 . . . . 0.0 111.935 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -152.18 51.86 0.79 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.681 1.192 . . . . 0.0 111.942 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.33 -41.3 1.58 Allowed Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.953 1.74 . . . . 0.0 114.307 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 124.22 22.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.89 2.076 . . . . 0.0 112.211 175.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' LEU . . . . . 0.668 HD21 HG22 ' D' ' 18' ' ' VAL . 1.5 tm? -73.01 127.48 32.67 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.497 0.665 . . . . 0.0 110.93 169.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.423 ' HB3' ' CD1' ' C' ' 14' ' ' TRP . 10.1 t0 -65.41 140.78 58.66 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.011 0.925 . . . . 0.0 111.836 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.0 p -58.76 -28.4 65.88 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.798 -1.189 . . . . 0.0 113.474 -176.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.16 -26.81 68.69 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.659 1.983 . . . . 0.0 114.532 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.519 ' HB2' HD11 ' C' ' 10' ' ' LEU . 2.1 m95 -101.84 -31.9 10.51 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.958 0.799 . . . . 0.0 112.662 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -54.24 -47.49 72.16 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 125.637 1.575 . . . . 0.0 110.7 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -35.18 80.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.407 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' C' ' 14' ' ' TRP . 80.1 mt -67.04 -47.95 69.81 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.607 1.163 . . . . 0.0 112.016 176.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -66.27 -40.0 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.845 -0.534 . . . . 0.0 111.943 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -62.98 -39.65 95.34 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.318 -0.864 . . . . 0.0 112.392 170.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -38.23 75.74 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.26 1.024 . . . . 0.0 112.495 172.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.37 -43.74 66.32 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.139 -0.976 . . . . 0.0 111.589 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 2.0 mmm -60.97 -34.94 75.54 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 46.5 p -87.58 -34.81 18.41 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -85.46 8.53 18.72 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.18 17.28 80.25 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.547 1.07 . . . . 0.0 114.986 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' D' ' 38' ' ' GLN . 24.3 t -64.55 145.34 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.479 1.512 . . . . 0.0 111.347 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 52.8 m -56.9 115.65 2.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.989 0.916 . . . . 0.0 111.835 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -65.86 -29.89 70.41 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -172.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -68.62 -35.01 76.73 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.097 0.959 . . . . 0.0 112.985 172.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -60.69 -26.24 66.98 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.481 0.712 . . . . 0.0 112.635 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . 0.428 ' HB3' HD13 ' D' ' 17' ' ' LEU . 1.5 m-85 -53.44 -63.24 1.21 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.651 0.659 . . . . 0.0 111.532 166.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -62.37 -45.26 93.96 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.832 0.853 . . . . 0.0 112.858 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -64.12 -40.0 95.24 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -71.92 -37.07 70.12 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.355 0.979 . . . . 0.0 112.038 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -52.36 63.24 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.781 0.832 . . . . 0.0 110.301 173.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -64.65 -41.6 96.01 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.551 0.74 . . . . 0.0 111.878 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -54.28 -45.82 72.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.245 1.018 . . . . 0.0 112.281 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLN . . . . . 0.4 ' CB ' HG13 ' D' ' 26' ' ' VAL . 92.3 mm-40 -72.66 -44.14 62.24 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.343 -0.848 . . . . 0.0 112.537 173.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -55.44 -35.41 65.41 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.944 1.247 . . . . 0.0 112.302 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -54.18 -28.6 41.65 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 128.658 2.783 . . . . 0.0 113.451 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -116.21 -41.89 3.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.336 1.854 . . . . 0.0 113.965 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -71.44 -26.25 62.65 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.157 1.383 . . . . 0.0 112.994 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 46.6 t -121.63 -35.2 3.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.035 1.334 . . . . 0.0 112.595 172.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.1 23.65 13.98 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.327 1.451 . . . . 0.0 113.843 -177.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -64.7 134.59 54.54 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.118 -0.989 . . . . 0.0 110.505 164.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -82.59 -13.9 55.74 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 127.767 2.427 . . . . 0.0 110.907 175.687 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m -64.67 149.85 48.26 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.694 1.198 . . . . 0.0 113.25 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.34 -30.87 71.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.298 1.039 . . . . 0.0 113.435 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 31.5 tpp -145.79 157.22 43.94 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.826 1.25 . . . . 0.0 111.982 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -68.23 -21.37 64.84 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -132.48 155.37 48.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.049 2.139 . . . . 0.0 111.693 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -108.65 13.56 25.08 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.841 2.056 . . . . 0.0 113.494 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.58 -8.79 26.15 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.779 1.656 . . . . 0.0 114.623 -173.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -73.01 156.32 38.93 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.754 1.222 . . . . 0.0 111.663 166.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? -135.71 136.91 41.23 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.458 1.503 . . . . 0.0 110.134 170.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.411 ' O ' HD13 ' D' ' 10' ' ' LEU . 7.9 t0 -63.21 132.2 50.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.154 0.582 . . . . 0.0 111.815 177.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 18.4 m -57.8 -26.45 61.98 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.873 -1.142 . . . . 0.0 113.314 -174.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -61.25 -30.03 70.2 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.263 1.825 . . . . 0.0 114.798 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' TRP . . . . . 0.624 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.9 m95 -96.93 -32.15 12.19 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.438 1.017 . . . . 0.0 112.249 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.05 -50.51 66.54 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.272 1.029 . . . . 0.0 109.52 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -32.53 73.32 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.759 -0.588 . . . . 0.0 112.477 -176.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' D' ' 14' ' ' TRP . 45.7 mt -68.54 -47.34 67.15 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.881 1.272 . . . . 0.0 112.521 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.668 HG22 HD21 ' C' ' 10' ' ' LEU . 11.5 p -64.43 -42.6 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.408 -0.807 . . . . 0.0 112.223 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.599 ' HG2' HD23 ' C' ' 10' ' ' LEU . 8.9 mtm105 -61.85 -43.97 97.78 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.935 0.894 . . . . 0.0 110.68 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -58.28 -41.64 84.78 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.127 1.371 . . . . 0.0 113.523 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.5 92.26 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.551 -0.718 . . . . 0.0 111.448 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 2.3 mmm -60.19 -39.37 86.29 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 73.5 p -80.84 -32.66 35.04 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -81.25 5.88 15.79 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.74 23.45 77.88 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 123.993 0.806 . . . . 0.0 114.17 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . 0.4 HG13 ' CB ' ' C' ' 38' ' ' GLN . 38.9 t -66.34 148.63 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.335 1.454 . . . . 0.0 111.113 177.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 55.1 m -56.58 112.01 1.16 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.063 0.945 . . . . 0.0 111.98 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.5 -28.19 68.37 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.357 0.663 . . . . 0.0 112.52 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -70.44 -38.04 74.45 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.165 0.986 . . . . 0.0 112.73 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -62.62 -29.3 70.51 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.456 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -57.82 -48.82 78.65 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.517 1.053 . . . . 0.0 111.632 172.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ARG . . . . . 0.407 ' HA ' HD22 ' C' ' 17' ' ' LEU . 12.5 tpt180 -63.79 -48.26 77.62 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.435 0.694 . . . . 0.0 112.358 172.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.82 -42.96 97.53 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -33.37 68.86 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.116 0.966 . . . . 0.0 111.858 176.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.69 -52.36 56.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.313 0.96 . . . . 0.0 110.488 168.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -69.66 -35.86 75.55 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.588 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -38.1 89.34 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.31 1.414 . . . . 0.0 113.272 174.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLN . . . . . 0.468 ' CB ' HG13 ' C' ' 26' ' ' VAL . 88.8 mm-40 -72.71 -41.18 65.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 119.404 1.002 . . . . 0.0 112.5 170.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -55.46 -41.61 73.17 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.893 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -55.39 -19.09 8.05 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 129.208 3.003 . . . . 0.0 114.58 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -118.36 -44.57 2.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.257 1.823 . . . . 0.0 113.48 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -78.46 -25.09 45.75 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.429 1.492 . . . . 0.0 113.211 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 28.1 t -133.28 -20.52 2.11 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.931 1.292 . . . . 0.0 113.237 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.301 0.0 OUTLIER 65.97 25.82 11.0 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.088 2.155 . . . . 0.0 113.843 -179.501 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -71.18 151.05 44.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.088 1.355 . . . . 0.0 111.138 160.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -78.06 -31.8 50.46 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 168.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 128.091 2.556 . . . . 0.0 112.465 173.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 t -71.5 157.43 38.03 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.067 0.947 . . . . 0.0 112.867 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -68.09 154.46 41.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.807 1.243 . . . . 0.0 113.06 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -68.1 144.29 55.11 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.658 1.183 . . . . 0.0 112.929 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.24 -13.53 59.14 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.747 1.219 . . . . 0.0 113.929 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -160.22 152.73 20.93 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.268 1.827 . . . . 0.0 110.762 -164.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -146.89 53.37 1.09 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.035 0.934 . . . . 0.0 112.417 -174.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.79 19.66 71.6 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.233 0.92 . . . . 0.0 114.893 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -148.92 127.12 12.09 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.543 1.537 . . . . 0.0 110.997 -170.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.707 HD21 HG22 ' B' ' 18' ' ' VAL . 1.1 tm? -72.43 126.18 29.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.382 0.611 . . . . 0.0 110.446 172.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.83 133.44 50.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.781 0.832 . . . . 0.0 110.552 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -59.45 -23.93 63.12 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.967 -1.083 . . . . 0.0 113.399 -172.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.6 -26.01 67.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.716 2.006 . . . . 0.0 114.561 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.529 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.4 m95 -102.2 -32.05 10.27 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.022 0.929 . . . . 0.0 112.895 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -54.05 -46.62 71.99 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.902 1.281 . . . . 0.0 109.978 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -34.08 77.55 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.515 -0.755 . . . . 0.0 112.627 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 14' ' ' TRP . 73.4 mt -67.35 -49.31 64.54 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.198 0.999 . . . . 0.0 111.827 176.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -67.69 -39.0 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.727 -0.608 . . . . 0.0 112.35 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -67.92 -33.99 75.76 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.11 0.964 . . . . 0.0 112.58 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.29 -39.78 94.12 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.531 1.132 . . . . 0.0 112.794 166.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HB2' HD21 ' B' ' 35' ' ' LEU . . . -68.06 -41.89 81.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.411 1.005 . . . . 0.0 111.228 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 mmt -56.54 -52.48 64.61 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.941 0.897 . . . . 0.0 111.42 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.7 p -73.21 -31.55 64.23 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -81.5 -3.85 54.27 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.56 27.06 73.56 Favored Glycine 0 CA--C 1.539 1.589 0 O-C-N 120.665 -1.272 . . . . 0.0 113.779 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.422 HG13 ' CB ' ' B' ' 38' ' ' GLN . 7.1 t -64.29 149.73 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.995 1.718 . . . . 0.0 110.977 176.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 m -60.95 98.47 0.07 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.434 1.094 . . . . 0.0 112.577 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -61.18 -29.98 70.13 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.775 1.23 . . . . 0.0 113.03 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -64.29 -37.73 88.53 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.919 1.288 . . . . 0.0 114.022 171.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -63.68 -34.09 77.08 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.042 0.383 . . . . 0.0 111.142 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -54.37 46.65 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.63 0.772 . . . . 0.0 111.575 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -64.51 -48.34 75.49 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -61.81 -47.28 85.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 119.156 -0.45 . . . . 0.0 111.623 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -27.19 62.32 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.433 1.015 . . . . 0.0 113.56 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -57.3 9.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.649 1.113 . . . . 0.0 109.702 168.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -73.94 -33.99 64.14 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.922 0.889 . . . . 0.0 111.983 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -45.88 92.97 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.152 -0.967 . . . . 0.0 112.958 169.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -66.59 -37.62 85.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.224 1.375 . . . . 0.0 112.158 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -55.82 -46.49 78.08 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.711 1.141 . . . . 0.0 110.393 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -80.65 4.37 18.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.495 1.918 . . . . 0.0 115.552 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -46.16 4.03 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.084 1.754 . . . . 0.0 111.981 164.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -78.27 -53.97 6.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.295 2.238 . . . . 0.0 113.286 -176.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.4 t -93.14 -30.85 15.04 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.508 1.123 . . . . 0.0 112.099 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.47 37.93 19.49 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.164 1.386 . . . . 0.0 112.595 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -75.42 47.13 0.37 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.877 2.071 . . . . 0.0 114.931 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -153.18 142.48 21.56 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.58 1.552 . . . . 0.0 111.353 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.037 1.735 . . . . 0.0 114.094 -177.149 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -70.97 -18.53 62.62 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 m80 55.53 18.97 2.95 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.866 1.666 . . . . 0.0 114.22 -172.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? 54.0 33.0 16.53 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.934 1.693 . . . . 0.0 113.935 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -63.81 147.5 51.64 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.413 1.085 . . . . 0.0 113.389 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -147.24 150.81 35.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.446 1.898 . . . . 0.0 111.16 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -132.02 11.98 4.7 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.737 1.615 . . . . 0.0 113.58 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.16 -41.8 0.45 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.758 1.17 . . . . 0.0 114.489 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -67.2 153.04 44.63 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.679 1.192 . . . . 0.0 112.514 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' B' ' 14' ' ' TRP . 2.8 tm? -140.01 137.59 34.77 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.9 1.68 . . . . 0.0 110.786 175.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.23 137.22 58.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.911 0.884 . . . . 0.0 112.043 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.6 p -57.82 -28.42 64.05 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.152 -0.968 . . . . 0.0 113.379 -176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.64 -22.96 66.7 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.093 1.757 . . . . 0.0 115.296 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.615 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.6 m95 -106.68 -32.04 8.18 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.396 1.079 . . . . 0.0 112.471 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -53.63 -46.06 70.36 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.536 1.535 . . . . 0.0 110.182 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -38.82 89.22 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.991 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' B' ' 14' ' ' TRP . 62.9 mt -65.72 -47.85 73.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.606 1.162 . . . . 0.0 112.101 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.707 HG22 HD21 ' A' ' 10' ' ' LEU . 10.1 p -65.96 -43.39 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 120.341 -0.544 . . . . 0.0 112.32 178.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.655 ' HG2' HD23 ' A' ' 10' ' ' LEU . 76.3 mtm180 -63.64 -41.37 98.25 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.425 -0.797 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -59.19 -44.54 92.2 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.413 1.485 . . . . 0.0 113.012 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.85 98.84 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.749 -0.594 . . . . 0.0 111.443 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mmm -63.59 -47.0 83.25 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -73.3 -31.32 63.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -89.07 6.85 37.9 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.75 26.6 64.64 Favored Glycine 0 CA--C 1.537 1.46 0 N-CA-C 115.397 0.919 . . . . 0.0 115.397 171.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.9 t -69.52 150.46 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.963 1.305 . . . . 0.0 112.153 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.8 m -57.81 104.36 0.18 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.713 1.205 . . . . 0.0 112.921 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -62.75 -36.41 82.96 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.055 0.942 . . . . 0.0 112.078 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -63.14 -37.41 87.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.225 1.41 . . . . 0.0 113.812 174.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -69.02 -31.62 70.56 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -51.71 61.24 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.934 0.893 . . . . 0.0 110.512 171.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.16 -52.47 58.89 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.474 1.11 . . . . 0.0 113.531 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.54 -38.15 90.03 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.24 0.473 . . . . 0.0 112.179 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -70.71 -33.51 70.94 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.642 0.655 . . . . 0.0 112.083 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -57.14 -54.05 51.2 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.776 0.716 . . . . 0.0 111.366 170.185 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -67.54 -35.05 78.33 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -55.46 -54.14 47.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.072 0.949 . . . . 0.0 112.114 170.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.422 ' CB ' HG13 ' A' ' 26' ' ' VAL . 97.9 mm-40 -66.83 -37.52 84.66 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 118.391 -0.814 . . . . 0.0 112.192 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -55.96 -53.87 51.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.25 1.386 . . . . 0.0 110.787 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -76.7 -1.0 25.66 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -48.01 3.88 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.042 1.337 . . . . 0.0 112.592 167.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -77.86 -51.65 10.13 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.114 2.166 . . . . 0.0 113.276 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.7 t -87.03 -33.51 19.53 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.776 0.83 . . . . 0.0 111.177 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.9 35.2 26.02 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.96 1.304 . . . . 0.0 111.964 177.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -11.43 52.01 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.651 1.98 . . . . 0.0 115.814 -168.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 66.2 -52.06 0.41 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.619 2.767 . . . . 0.0 116.225 172.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 126.56 1.944 . . . . 0.0 112.397 -176.565 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -152.99 162.39 41.38 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.363 1.465 . . . . 0.0 112.005 -178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -69.28 155.03 41.09 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.954 0.902 . . . . 0.0 112.635 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 73.1 mtm -67.32 156.05 37.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.96 1.304 . . . . 0.0 113.02 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -68.64 -30.82 69.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.469 0.708 . . . . 0.0 112.874 174.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.41 ' HE2' HD22 ' C' ' 10' ' ' LEU . 2.3 m-85 -85.96 126.52 34.18 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.681 1.592 . . . . 0.0 111.033 171.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -141.67 11.51 2.07 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.525 1.53 . . . . 0.0 113.754 -173.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.92 -30.5 1.91 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.804 1.669 . . . . 0.0 113.091 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -58.54 154.24 14.54 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.391 1.476 . . . . 0.0 112.595 170.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' C' ' 14' ' ' TRP . 2.0 tm? -143.66 131.67 21.68 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.066 1.346 . . . . 0.0 110.446 165.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.68 136.67 58.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.999 0.919 . . . . 0.0 111.56 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 84.6 p -57.02 -30.85 64.55 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.9 -19.74 65.78 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.513 1.925 . . . . 0.0 115.361 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.577 ' HB2' HD11 ' C' ' 10' ' ' LEU . 1.8 m95 -104.31 -32.28 9.15 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.916 0.886 . . . . 0.0 113.089 174.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -53.97 -46.82 71.76 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.692 1.197 . . . . 0.0 110.228 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -36.5 80.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.281 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' C' ' 14' ' ' TRP . 86.1 mt -69.35 -48.16 62.19 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.647 1.179 . . . . 0.0 112.137 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.32 -40.72 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.823 -0.548 . . . . 0.0 111.972 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -63.58 -40.41 96.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.861 0.864 . . . . 0.0 111.696 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.17 -38.78 80.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.785 1.234 . . . . 0.0 113.56 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.8 82.57 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.438 1.017 . . . . 0.0 110.517 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 4.9 mmm -61.6 -41.67 97.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 119.364 -0.35 . . . . 0.0 111.925 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 81.2 p -79.81 -31.16 40.69 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -80.16 2.18 25.21 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.83 20.87 74.75 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 120.819 -1.176 . . . . 0.0 113.872 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . 0.501 HG13 ' CB ' ' D' ' 38' ' ' GLN . 32.2 t -63.61 142.02 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.256 1.423 . . . . 0.0 109.967 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -58.02 112.33 1.47 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.833 0.853 . . . . 0.0 112.203 -171.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -65.11 -27.21 68.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -172.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.27 -38.17 84.66 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -60.48 -29.09 68.84 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.999 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -53.88 51.82 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 119.473 1.033 . . . . 0.0 111.686 175.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -65.28 -46.62 79.72 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.261 0.624 . . . . 0.0 112.535 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -66.64 -38.69 87.43 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -32.42 65.48 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.733 -1.229 . . . . 0.0 112.255 171.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.8 -50.59 65.78 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.244 0.929 . . . . 0.0 109.924 166.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -58.68 -46.82 86.41 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.821 175.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -36.6 84.41 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.133 1.333 . . . . 0.0 114.515 -178.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLN . . . . . 0.432 ' CB ' HG13 ' D' ' 26' ' ' VAL . 95.8 mm-40 -72.89 -44.04 61.76 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.522 1.055 . . . . 0.0 112.053 170.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -54.45 -39.42 67.41 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.614 0.766 . . . . 0.0 110.868 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.1 -23.36 13.65 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 129.412 3.085 . . . . 0.0 114.588 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -125.6 -37.24 2.35 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.715 1.606 . . . . 0.0 113.53 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -72.72 -25.5 61.24 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.824 1.25 . . . . 0.0 113.344 175.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -138.57 -18.53 1.09 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.25 0.0 OUTLIER 64.86 22.8 12.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.7 1.6 . . . . 0.0 114.224 175.453 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -69.91 147.58 50.07 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.438 -0.789 . . . . 0.0 109.753 151.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -155.39 153.58 30.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.043 0.937 . . . . 0.0 111.941 -171.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 125.78 1.632 . . . . 0.0 111.833 -177.177 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 111.754 -0.539 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -155.2 151.36 28.07 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.963 1.305 . . . . 0.0 111.873 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -75.46 -6.26 49.21 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.253 1.021 . . . . 0.0 113.52 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 9.8 tpp 69.0 155.8 0.13 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.92 2.488 . . . . 0.0 115.65 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -110.13 -117.78 0.29 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.591 1.556 . . . . 0.0 110.553 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -66.34 152.86 44.13 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.335 1.054 . . . . 0.0 111.896 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -136.14 15.89 3.25 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.679 1.592 . . . . 0.0 113.219 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.29 -27.77 7.54 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.223 1.868 . . . . 0.0 113.003 -171.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -68.02 152.51 45.4 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.391 1.095 . . . . 0.0 111.935 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? -128.56 143.27 50.93 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.767 1.627 . . . . 0.0 111.019 172.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 8.3 t0 -64.27 135.57 56.35 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.81 -0.556 . . . . 0.0 112.137 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -56.55 -30.21 62.85 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.033 -1.042 . . . . 0.0 112.69 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -61.27 -30.65 70.6 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' TRP . . . . . 0.654 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.0 m95 -98.81 -31.67 11.75 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.707 1.14 . . . . 0.0 112.136 178.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -52.93 -47.68 67.85 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.665 1.586 . . . . 0.0 109.756 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -67.55 -29.97 69.49 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.343 -0.836 . . . . 0.0 113.182 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' D' ' 14' ' ' TRP . 60.0 mt -71.01 -48.13 54.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.02 1.328 . . . . 0.0 112.363 175.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.518 HG22 HD21 ' C' ' 10' ' ' LEU . 10.4 p -66.27 -37.82 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 O-C-N 121.471 -0.768 . . . . 0.0 112.205 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -67.13 -37.44 83.85 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.283 -0.886 . . . . 0.0 111.824 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -39.23 77.11 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.561 1.144 . . . . 0.0 112.612 167.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -43.0 81.3 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.198 -0.939 . . . . 0.0 111.684 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 15.9 mmt -60.35 -37.02 79.38 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -82.23 -36.37 27.27 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.53 7.99 26.99 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -173.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.7 20.54 78.11 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.549 1.071 . . . . 0.0 114.833 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . 0.432 HG13 ' CB ' ' C' ' 38' ' ' GLN . 24.3 t -67.12 147.04 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.444 1.497 . . . . 0.0 111.757 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 50.5 m -60.01 108.83 0.83 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.255 1.022 . . . . 0.0 111.915 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -65.23 -27.78 68.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -67.72 -40.76 84.21 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 170.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.66 -27.57 69.32 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -56.23 16.64 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.794 0.724 . . . . 0.0 111.278 169.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -64.72 -47.44 78.27 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.94 0.896 . . . . 0.0 112.646 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -64.02 -38.47 91.21 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -72.63 -34.16 67.14 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.192 0.905 . . . . 0.0 111.914 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -52.54 62.73 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.777 -0.577 . . . . 0.0 111.002 166.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -59.71 -41.33 90.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.732 -0.652 . . . . 0.0 111.512 175.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.24 -49.26 77.73 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.672 1.189 . . . . 0.0 113.072 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLN . . . . . 0.501 ' CB ' HG13 ' C' ' 26' ' ' VAL . 88.2 mm-40 -71.3 -42.04 69.17 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.629 -0.669 . . . . 0.0 112.076 175.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -52.65 -40.16 62.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.995 0.816 . . . . 0.0 110.952 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.06 -24.37 9.82 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 128.456 2.703 . . . . 0.0 114.592 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -127.07 -39.08 1.95 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.702 1.601 . . . . 0.0 113.207 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -72.53 -25.8 61.52 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.79 1.236 . . . . 0.0 113.139 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 95.3 p -133.56 -17.44 2.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.287 1.035 . . . . 0.0 113.723 172.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.275 0.0 OUTLIER 62.29 30.52 17.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.555 1.942 . . . . 0.0 113.547 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -93.32 146.23 23.87 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.567 -0.708 . . . . 0.0 110.935 153.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -84.48 -14.76 48.23 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.91 0.884 . . . . 0.0 112.84 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 127.898 2.479 . . . . 0.0 110.79 176.914 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 112.174 -0.37 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m 57.8 31.51 20.59 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.682 1.593 . . . . 0.0 114.982 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -69.71 144.27 52.86 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.357 1.063 . . . . 0.0 112.588 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 mmt -80.13 156.03 27.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.43 1.092 . . . . 0.0 112.759 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -75.17 -12.5 60.31 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 173.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -159.36 137.49 10.4 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.617 1.567 . . . . 0.0 111.032 -171.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -114.6 23.61 12.56 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.298 1.439 . . . . 0.0 113.105 -172.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.22 23.88 74.78 Favored Glycine 0 CA--C 1.538 1.488 0 O-C-N 121.167 -0.958 . . . . 0.0 113.31 -171.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -152.37 127.45 9.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.394 1.877 . . . . 0.0 110.253 -168.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.7 HD21 HG22 ' B' ' 18' ' ' VAL . 1.1 tm? -72.16 126.67 30.37 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.767 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.9 t0 -65.69 135.94 55.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.447 1.099 . . . . 0.0 111.09 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.0 t -57.2 -29.56 63.81 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.065 -1.022 . . . . 0.0 112.235 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.96 -20.23 66.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.488 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.5 m95 -103.53 -32.26 9.55 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.017 0.927 . . . . 0.0 112.912 172.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -53.66 -45.94 70.41 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.997 1.319 . . . . 0.0 110.073 171.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -39.46 92.45 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.075 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 14' ' ' TRP . 73.2 mt -66.19 -47.02 75.3 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.506 1.122 . . . . 0.0 111.554 179.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.437 HG22 HD21 ' B' ' 10' ' ' LEU . 14.4 p -69.03 -43.5 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HG2' HD23 ' B' ' 10' ' ' LEU . 31.8 mtm105 -57.71 -44.0 85.63 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.09 -1.006 . . . . 0.0 111.819 172.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -43.13 94.1 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.118 0.967 . . . . 0.0 113.082 173.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.62 96.3 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.675 -0.64 . . . . 0.0 110.959 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.0 mmm -64.75 -51.77 60.54 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.8 p -72.21 -32.47 66.81 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -87.13 6.94 30.3 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.61 25.53 67.44 Favored Glycine 0 CA--C 1.538 1.479 0 N-CA-C 115.822 1.089 . . . . 0.0 115.822 168.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.429 HG13 ' CB ' ' B' ' 38' ' ' GLN . 16.2 t -67.83 149.75 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.475 1.51 . . . . 0.0 112.021 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.9 m -58.91 107.48 0.53 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.211 1.004 . . . . 0.0 112.607 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -62.72 -35.82 80.97 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.275 1.03 . . . . 0.0 112.344 -175.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -63.18 -37.19 86.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.91 1.284 . . . . 0.0 113.902 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -65.31 -33.41 75.91 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 118.107 0.412 . . . . 0.0 111.363 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -55.24 35.56 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.745 0.818 . . . . 0.0 111.067 174.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -62.4 -51.25 68.31 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.032 0.933 . . . . 0.0 112.898 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -61.16 -45.26 95.36 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.15 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.67 -34.36 77.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.424 1.011 . . . . 0.0 112.189 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' B' ' 21' ' ' ALA . 0.1 OUTLIER -55.69 -57.58 11.41 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.516 0.598 . . . . 0.0 111.887 172.16 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -71.73 -30.21 65.38 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -58.27 -50.28 74.15 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.733 1.213 . . . . 0.0 112.837 168.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -66.78 -39.83 87.95 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.218 0.917 . . . . 0.0 112.253 175.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -54.7 -47.52 73.6 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.943 1.247 . . . . 0.0 110.13 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -81.99 6.96 14.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.44 -45.24 3.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.726 1.21 . . . . 0.0 112.297 164.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -73.82 -33.52 64.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.662 1.985 . . . . 0.0 114.477 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.1 t -134.79 -32.75 0.97 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -168.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.9 35.19 24.07 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.637 1.575 . . . . 0.0 114.498 171.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 147.16 49.29 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.239 1.016 . . . . 0.0 113.204 174.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -77.15 159.14 29.98 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.251 1.02 . . . . 0.0 112.546 174.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.146 1.378 . . . . 0.0 113.487 175.627 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -70.81 157.54 37.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.67 1.188 . . . . 0.0 112.912 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -70.32 144.14 51.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.011 0.925 . . . . 0.0 112.551 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -69.25 145.72 52.9 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.524 1.13 . . . . 0.0 112.296 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -72.36 143.91 48.44 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.415 1.086 . . . . 0.0 112.245 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . 0.286 82.6 m-85 55.42 -161.3 0.17 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.758 2.023 . . . . 0.0 114.32 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 28.6 t0 55.81 26.25 9.37 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 125.39 1.476 . . . . 0.0 114.032 -168.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.09 -38.47 1.18 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 126.234 1.874 . . . . 0.0 112.965 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -75.54 153.37 37.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.864 1.266 . . . . 0.0 111.772 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.1 tm? -144.76 138.12 26.95 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.035 1.334 . . . . 0.0 110.364 173.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.428 ' O ' HD13 ' B' ' 10' ' ' LEU . 7.2 t0 -67.15 134.02 50.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.251 0.621 . . . . 0.0 111.684 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 16.4 m -59.19 -24.94 63.53 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.699 -1.251 . . . . 0.0 113.966 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -64.01 -23.75 67.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.839 1.655 . . . . 0.0 114.95 174.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.588 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.2 m95 -103.7 -30.94 10.11 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.654 1.182 . . . . 0.0 112.391 177.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.15 -49.1 70.01 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.129 0.972 . . . . 0.0 109.264 169.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -34.49 74.59 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 119.012 -0.518 . . . . 0.0 111.886 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.11 -49.99 57.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.104 1.361 . . . . 0.0 111.994 176.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.7 HG22 HD21 ' A' ' 10' ' ' LEU . 11.0 p -65.96 -40.82 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.549 -0.719 . . . . 0.0 112.356 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.597 ' HG2' HD23 ' A' ' 10' ' ' LEU . 16.5 mtm105 -64.62 -39.76 94.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.608 0.763 . . . . 0.0 110.49 176.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.94 -42.28 84.53 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.012 0.925 . . . . 0.0 112.061 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.525 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -67.77 -41.93 82.53 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 120.037 1.29 . . . . 0.0 111.541 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mmm -63.9 -40.15 95.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 62.5 p -86.39 -31.99 21.17 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -87.23 2.32 50.41 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.44 25.47 47.14 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.702 1.144 . . . . 0.0 114.769 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 30.1 t -78.41 150.11 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.073 1.349 . . . . 0.0 112.226 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.3 m -61.36 97.87 0.07 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.206 1.402 . . . . 0.0 113.193 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -59.16 -30.94 68.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.708 1.203 . . . . 0.0 113.165 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -65.2 -33.82 76.92 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.282 1.433 . . . . 0.0 114.289 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -65.84 -33.27 75.47 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 119.19 -0.433 . . . . 0.0 111.4 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -53.16 60.34 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.691 0.796 . . . . 0.0 111.5 -178.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -63.59 -48.34 77.79 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -64.02 -44.46 92.52 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -30.79 67.42 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.528 -0.732 . . . . 0.0 112.799 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -56.99 12.7 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.066 0.848 . . . . 0.0 110.076 170.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -68.83 -35.68 77.25 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.721 0.808 . . . . 0.0 112.296 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.69 -51.0 71.34 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.481 -0.762 . . . . 0.0 112.553 170.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.429 ' CB ' HG13 ' A' ' 26' ' ' VAL . 70.2 mm-40 -65.1 -39.05 92.6 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.674 1.124 . . . . 0.0 112.357 175.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -55.9 -50.11 71.57 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.724 1.147 . . . . 0.0 110.924 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -78.04 -2.66 38.25 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -47.99 5.37 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.61 1.564 . . . . 0.0 112.158 165.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 mmpp? -78.97 -53.86 6.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.938 2.095 . . . . 0.0 113.209 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 39.5 t -91.59 -29.27 17.02 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.295 1.038 . . . . 0.0 111.81 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.59 52.09 7.26 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.314 1.446 . . . . 0.0 111.661 173.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -69.05 -37.37 78.52 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.57 1.548 . . . . 0.0 114.81 -157.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 55.66 25.33 8.02 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.505 1.522 . . . . 0.0 114.71 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 125.231 1.413 . . . . 0.0 113.92 178.139 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 112.186 -0.365 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 29.3 m -65.74 156.18 33.85 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.822 1.249 . . . . 0.0 113.385 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -63.02 148.12 48.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.799 0.84 . . . . 0.0 112.487 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 24.1 mmt -107.17 -13.29 15.19 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.336 1.454 . . . . 0.0 112.018 170.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 -76.37 -7.91 56.0 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.793 2.437 . . . . 0.0 113.89 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -152.26 149.37 28.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.82 1.648 . . . . 0.0 111.138 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -148.16 47.78 1.06 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.253 1.021 . . . . 0.0 112.45 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.96 17.15 71.33 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.294 -0.879 . . . . 0.0 114.572 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -149.54 131.22 14.98 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.268 1.827 . . . . 0.0 110.56 -169.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' LEU . . . . . 0.743 HD21 HG22 ' D' ' 18' ' ' VAL . 0.9 OUTLIER -71.25 132.27 44.7 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.576 0.703 . . . . 0.0 110.905 176.109 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.11 22.06 1.01 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 116.914 2.191 . . . . 0.0 116.914 -156.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m 63.16 -36.0 0.14 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 129.957 3.303 . . . . 0.0 115.657 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -63.82 -29.34 70.54 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.885 2.074 . . . . 0.0 112.313 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.534 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.8 m95 -96.42 -30.51 13.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.956 0.903 . . . . 0.0 112.046 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -57.63 -48.92 78.11 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.639 1.575 . . . . 0.0 109.692 170.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -65.22 -29.6 70.42 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' D' ' 32' ' ' ARG . 62.2 mt -68.89 -50.73 47.06 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.747 1.219 . . . . 0.0 112.371 172.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.53 HG22 HD21 ' D' ' 10' ' ' LEU . 14.7 p -65.86 -35.61 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 O-C-N 121.528 -0.733 . . . . 0.0 112.498 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.446 ' HG2' HD23 ' D' ' 10' ' ' LEU . 36.8 mtm105 -63.91 -42.71 97.35 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.3 -0.875 . . . . 0.0 111.149 172.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -36.37 72.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.257 1.023 . . . . 0.0 113.094 170.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.45 ' HB2' HD21 ' D' ' 35' ' ' LEU . . . -69.93 -40.31 75.6 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.226 -0.921 . . . . 0.0 111.931 175.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . 0.414 ' CE ' ' CD1' ' D' ' 14' ' ' TRP . 25.8 mmt -60.53 -40.73 92.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.197 0.453 . . . . 0.0 111.671 173.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 82.7 p -79.88 -35.1 38.56 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -87.14 8.25 24.57 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.436 1.016 . . . . 0.0 113.676 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.4 23.8 76.32 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.704 -1.248 . . . . 0.0 114.472 174.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . 0.435 HG13 ' CB ' ' D' ' 38' ' ' GLN . 6.5 t -66.94 145.19 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.06 1.344 . . . . 0.0 111.083 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -59.77 111.07 1.31 Allowed 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.616 1.166 . . . . 0.0 111.606 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -67.19 -24.36 65.85 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -171.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -67.92 -33.74 75.27 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 171.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -63.49 -26.34 68.67 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 123.352 0.661 . . . . 0.0 112.529 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . 0.469 ' HB3' HD13 ' D' ' 17' ' ' LEU . 2.1 m-85 -53.43 -59.0 5.14 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 118.518 0.599 . . . . 0.0 111.006 168.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -63.12 -47.88 80.91 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.606 0.763 . . . . 0.0 112.582 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -64.9 -37.03 86.27 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.24 -36.8 69.19 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.598 1.09 . . . . 0.0 112.169 173.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -50.19 67.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.402 0.681 . . . . 0.0 109.706 171.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.25 -44.09 96.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 112.428 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -53.45 -47.23 69.89 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.779 1.231 . . . . 0.0 112.52 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -74.4 -43.44 56.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.932 0.787 . . . . 0.0 112.99 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -53.76 -35.66 61.51 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.232 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -53.72 -23.63 12.27 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 128.664 2.786 . . . . 0.0 114.664 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -127.09 -37.66 2.06 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.693 1.597 . . . . 0.0 112.66 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -70.52 -24.79 62.89 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.469 1.108 . . . . 0.0 113.226 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 26.1 t -144.66 -17.13 0.53 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.98 22.21 11.27 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.076 2.15 . . . . 0.0 115.156 170.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -16.24 56.82 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 168.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 66.56 -52.86 0.43 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 128.243 2.617 . . . . 0.0 116.295 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 125.236 1.414 . . . . 0.0 113.564 -179.223 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.428 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -153.23 169.07 23.93 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.18 1.392 . . . . 0.0 112.414 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -74.8 141.81 44.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.126 0.97 . . . . 0.0 111.713 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 1.9 mpt? 53.23 31.43 11.6 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.557 1.543 . . . . 0.0 113.99 -175.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.76 157.41 37.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.883 1.273 . . . . 0.0 113.395 -176.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -76.85 36.21 0.17 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.87 2.068 . . . . 0.0 115.008 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -78.3 16.72 0.74 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.254 1.422 . . . . 0.0 113.292 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.24 -34.26 0.43 Allowed Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.844 -1.16 . . . . 0.0 114.983 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -73.44 145.52 45.69 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.186 0.993 . . . . 0.0 111.842 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? -145.95 148.0 32.31 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.424 1.889 . . . . 0.0 109.934 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.497 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 6.2 t0 -64.37 136.38 57.07 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.387 0.613 . . . . 0.0 111.853 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 99.4 p -58.45 -29.07 65.87 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.689 -1.257 . . . . 0.0 113.469 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.32 -27.06 66.85 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.195 1.798 . . . . 0.0 114.297 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' TRP . . . . . 0.593 ' HB2' HD11 ' D' ' 10' ' ' LEU . 1.9 m95 -100.41 -31.28 11.38 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.096 0.862 . . . . 0.0 112.871 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -53.86 -48.09 70.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.265 1.026 . . . . 0.0 109.584 170.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -35.17 79.38 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.977 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' D' ' 14' ' ' TRP . 54.0 mt -68.06 -45.48 73.77 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.212 1.405 . . . . 0.0 112.411 177.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.743 HG22 HD21 ' C' ' 10' ' ' LEU . 10.0 p -65.6 -43.62 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.561 -0.712 . . . . 0.0 112.118 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.641 ' HG2' HD23 ' C' ' 10' ' ' LEU . 23.3 mtm105 -62.88 -41.25 99.33 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.728 -0.607 . . . . 0.0 110.615 178.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.78 -41.89 87.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.395 1.478 . . . . 0.0 113.492 173.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.93 92.19 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 121.482 -0.761 . . . . 0.0 111.486 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mmm -60.75 -40.08 91.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 76.3 p -78.41 -31.3 48.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t -81.69 5.83 17.14 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.91 22.28 78.8 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 123.903 0.763 . . . . 0.0 114.168 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 36.1 t -67.27 146.57 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.892 1.277 . . . . 0.0 111.061 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -57.92 109.84 0.81 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.274 1.03 . . . . 0.0 112.139 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.29 -31.33 71.91 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.921 0.888 . . . . 0.0 113.222 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -67.25 -36.6 81.95 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.91 0.884 . . . . 0.0 112.7 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -64.02 -29.12 70.29 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 118.572 -0.728 . . . . 0.0 112.432 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.41 -47.18 84.76 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.672 1.124 . . . . 0.0 111.707 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ARG . . . . . 0.478 ' HA ' HD22 ' C' ' 17' ' ' LEU . 9.1 tpt180 -62.72 -49.95 73.06 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.739 0.7 . . . . 0.0 112.199 172.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.47 -37.17 84.52 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.96 -30.41 62.51 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.183 1.356 . . . . 0.0 111.868 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' C' ' 21' ' ' ALA . 0.1 OUTLIER -56.34 -50.72 70.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.104 0.866 . . . . 0.0 110.243 166.46 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -61.05 -40.38 93.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.311 0.644 . . . . 0.0 112.055 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -59.63 -47.52 85.25 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.997 1.319 . . . . 0.0 112.758 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLN . . . . . 0.435 ' CB ' HG13 ' C' ' 26' ' ' VAL . 66.1 mm-40 -70.2 -43.0 71.6 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.869 -0.519 . . . . 0.0 111.729 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -53.62 -41.68 66.95 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.54 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -53.5 -23.18 9.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.203 2.601 . . . . 0.0 114.812 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -118.6 -43.0 2.71 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.055 1.742 . . . . 0.0 112.861 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -36.13 71.47 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -177.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 89.3 p -125.65 -10.68 6.76 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.111 1.364 . . . . 0.0 114.504 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.287 0.0 OUTLIER 59.11 34.24 23.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 128.642 2.777 . . . . 0.0 113.923 175.76 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -103.81 134.82 46.46 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.624 1.57 . . . . 0.0 110.311 169.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -75.85 -17.54 59.78 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.232 1.013 . . . . 0.0 112.774 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 128.292 2.637 . . . . 0.0 111.31 179.409 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.499 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -77.02 48.15 0.58 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.097 1.759 . . . . 0.0 114.281 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -156.85 171.55 20.21 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.639 1.975 . . . . 0.0 110.742 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.7 mmt -65.84 128.55 36.45 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.428 -0.795 . . . . 0.0 110.231 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -95.2 0.65 54.24 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -150.8 149.79 30.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.025 1.33 . . . . 0.0 111.596 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -149.9 46.3 0.93 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.362 1.065 . . . . 0.0 112.491 -175.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.44 19.33 74.38 Favored Glycine 0 CA--C 1.54 1.605 0 O-C-N 121.215 -0.928 . . . . 0.0 114.616 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -151.54 128.65 11.13 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.011 1.724 . . . . 0.0 110.486 -169.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.683 HD21 HG22 ' B' ' 18' ' ' VAL . 1.0 OUTLIER -73.41 130.26 39.75 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.488 0.661 . . . . 0.0 111.73 -179.123 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 11.8 t0 -67.48 136.88 55.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.77 1.228 . . . . 0.0 111.365 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.8 t -57.19 -28.9 63.25 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.049 -1.032 . . . . 0.0 112.513 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -60.99 -28.45 69.04 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 173.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.7 m95 -100.95 -31.8 10.95 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.46 1.027 . . . . 0.0 112.469 177.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -53.91 -47.28 71.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.015 1.326 . . . . 0.0 110.043 171.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -36.59 84.15 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.53 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 14' ' ' TRP . 55.5 mt -66.06 -48.04 72.34 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.472 1.109 . . . . 0.0 111.901 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.78 HG22 HD21 ' B' ' 10' ' ' LEU . 11.6 p -66.68 -41.69 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 119.946 -0.702 . . . . 0.0 112.445 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.711 ' HG2' HD23 ' B' ' 10' ' ' LEU . 79.0 mtm180 -66.22 -37.55 85.82 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.54 -0.725 . . . . 0.0 111.27 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.71 -43.9 93.95 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.19 0.996 . . . . 0.0 112.69 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.84 97.72 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.783 -0.573 . . . . 0.0 111.422 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.432 ' HB3' ' CD2' ' B' ' 6' ' ' TYR . 8.3 mmt -58.26 -51.37 70.07 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.034 0.534 . . . . 0.0 112.18 174.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.0 p -77.63 -30.96 52.48 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -174.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.9 t -83.23 4.27 27.58 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.98 21.94 78.93 Favored Glycine 0 CA--C 1.535 1.315 0 O-C-N 121.048 -1.032 . . . . 0.0 114.729 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -63.46 150.56 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.248 1.419 . . . . 0.0 111.132 174.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -65.04 89.97 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.195 0.998 . . . . 0.0 112.274 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -21.65 65.37 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.864 1.266 . . . . 0.0 114.239 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -60.03 -36.21 76.78 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 165.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -65.5 -35.1 79.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 118.694 -0.669 . . . . 0.0 111.712 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -55.89 -47.62 77.07 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.855 0.752 . . . . 0.0 110.522 173.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -63.2 -53.39 53.9 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.881 0.764 . . . . 0.0 113.031 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -63.21 -40.72 98.27 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 117.816 0.28 . . . . 0.0 111.665 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -68.49 -33.18 73.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.006 0.922 . . . . 0.0 112.169 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -54.51 46.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.392 0.677 . . . . 0.0 111.201 173.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -68.4 -36.71 79.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.7 0.4 . . . . 0.0 111.874 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -54.56 -52.26 62.66 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.657 0.783 . . . . 0.0 112.448 169.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -66.15 -40.68 90.74 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.271 0.941 . . . . 0.0 112.289 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -56.38 -51.59 67.74 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.553 1.524 . . . . 0.0 110.638 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -77.0 -10.77 59.59 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -85.79 -45.31 11.73 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.588 1.155 . . . . 0.0 112.39 165.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -47.53 5.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.35 1.86 . . . . 0.0 113.62 -162.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 t -84.14 -32.68 24.54 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.094 0.958 . . . . 0.0 111.042 167.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.72 52.25 6.91 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.896 1.678 . . . . 0.0 112.039 173.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -63.67 -27.39 69.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.161 1.784 . . . . 0.0 114.845 -168.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 61.41 -56.47 0.11 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.22 2.208 . . . . 0.0 112.936 -161.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.513 1.925 . . . . 0.0 111.09 167.423 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 112.006 -0.438 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -74.54 -42.01 59.59 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.942 0.897 . . . . 0.0 113.125 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 52.2 42.91 30.97 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.908 1.683 . . . . 0.0 113.899 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 17.9 ptp -61.93 156.95 19.61 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.603 1.561 . . . . 0.0 113.72 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -71.26 158.86 35.65 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.438 1.095 . . . . 0.0 112.784 175.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' A' ' 22' ' ' MET . 2.7 t80 66.98 155.71 0.1 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.04 2.136 . . . . 0.0 115.383 177.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -151.03 40.03 0.7 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.593 1.157 . . . . 0.0 112.569 -174.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.01 17.21 69.48 Favored Glycine 0 CA--C 1.539 1.558 0 O-C-N 121.124 -0.985 . . . . 0.0 114.344 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -148.14 132.27 17.33 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.734 2.014 . . . . 0.0 110.19 -171.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.78 HD21 HG22 ' A' ' 18' ' ' VAL . 1.5 tm? -69.35 122.27 18.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.777 0.431 . . . . 0.0 110.213 174.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -67.03 133.64 50.31 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.312 0.645 . . . . 0.0 110.33 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 15.9 m -59.48 -22.19 61.21 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 -167.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.77 -25.66 66.68 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.543 1.937 . . . . 0.0 114.522 172.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.516 ' HB2' HD11 ' B' ' 10' ' ' LEU . 3.0 m95 -102.28 -32.16 10.19 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.174 0.99 . . . . 0.0 112.627 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -54.17 -49.25 69.75 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.323 1.049 . . . . 0.0 109.394 169.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -34.27 76.5 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.776 -0.63 . . . . 0.0 112.176 -177.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 14' ' ' TRP . 69.5 mt -67.15 -48.54 67.71 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.774 1.23 . . . . 0.0 112.157 176.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.683 HG22 HD21 ' A' ' 10' ' ' LEU . 15.0 p -66.52 -41.14 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 120.016 -0.673 . . . . 0.0 112.193 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.57 ' HG2' HD23 ' A' ' 10' ' ' LEU . 17.3 mtm105 -66.07 -38.16 87.62 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.394 -0.817 . . . . 0.0 110.68 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.39 -41.62 89.8 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.538 1.135 . . . . 0.0 112.606 170.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.76 -43.29 84.48 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.196 0.907 . . . . 0.0 111.323 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mmm -62.6 -42.91 99.85 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -78.0 -28.2 49.2 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -75.06 -28.33 60.33 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.942 0.792 . . . . 0.0 112.411 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.32 25.78 46.38 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 113.034 -170.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.4 t -60.04 150.0 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.549 1.94 . . . . 0.0 111.036 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 67.5 m -58.41 102.75 0.12 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.07 0.948 . . . . 0.0 112.634 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -61.48 -33.99 74.7 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.523 1.129 . . . . 0.0 112.277 -174.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -60.88 -35.14 75.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.413 1.485 . . . . 0.0 114.292 173.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.97 -32.88 74.41 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.13 0.572 . . . . 0.0 111.901 -176.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.04 -58.75 6.14 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.529 0.604 . . . . 0.0 110.87 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -64.33 -47.95 77.43 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.166 0.986 . . . . 0.0 113.119 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -63.97 -43.36 96.02 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 119.513 -0.28 . . . . 0.0 111.568 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -66.78 -36.0 81.39 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.83 0.741 . . . . 0.0 112.208 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -54.75 42.17 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.144 0.977 . . . . 0.0 110.815 174.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -67.8 -36.01 79.67 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.395 0.678 . . . . 0.0 111.956 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.69 -50.15 72.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.789 0.836 . . . . 0.0 112.595 169.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -67.42 -37.83 83.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.421 1.009 . . . . 0.0 112.632 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -55.99 -48.87 75.05 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.233 1.379 . . . . 0.0 110.254 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -77.69 -5.0 49.0 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -93.92 -48.92 6.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.197 1.399 . . . . 0.0 112.409 167.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -57.98 3.48 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.988 2.115 . . . . 0.0 112.778 -177.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -87.68 -29.96 20.74 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.725 1.21 . . . . 0.0 111.893 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.84 37.96 27.1 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.415 1.486 . . . . 0.0 112.381 172.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.23 42.57 0.42 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.125 2.17 . . . . 0.0 115.085 -167.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -72.93 -14.15 61.4 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 . . . . . 0 C--O 1.253 1.284 0 C-N-CA 126.282 1.833 . . . . 0.0 112.33 178.6 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -66.0 149.99 49.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.622 1.169 . . . . 0.0 113.169 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -65.53 137.65 57.54 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.046 0.938 . . . . 0.0 111.911 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 25.1 ptp -146.87 9.11 0.99 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.663 1.185 . . . . 0.0 114.074 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -72.34 153.59 41.4 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.136 -0.977 . . . . 0.0 112.052 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.424 ' HE1' HD22 ' C' ' 10' ' ' LEU . 57.6 m-85 60.06 25.13 14.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.49 2.033 . . . . 0.0 116.49 170.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -74.55 9.65 1.68 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.419 1.888 . . . . 0.0 114.264 167.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.91 -20.31 7.23 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.683 2.087 . . . . 0.0 112.562 -163.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -70.17 153.35 43.22 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.813 1.645 . . . . 0.0 112.27 166.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' C' ' 14' ' ' TRP . 3.1 tm? -142.49 140.7 31.96 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.544 1.938 . . . . 0.0 109.977 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.419 ' O ' HD13 ' C' ' 10' ' ' LEU . 8.3 t0 -66.88 130.61 43.73 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.239 0.543 . . . . 0.0 111.588 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 18.1 m -58.06 -25.79 61.69 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.714 -1.241 . . . . 0.0 113.838 -171.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -63.52 -27.53 69.32 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.553 1.941 . . . . 0.0 114.512 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.606 ' HB2' HD11 ' C' ' 10' ' ' LEU . 2.5 m95 -97.68 -32.36 11.8 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.026 0.83 . . . . 0.0 112.668 177.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -54.27 -46.38 72.68 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.264 1.425 . . . . 0.0 110.184 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -33.87 77.01 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.832 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' C' ' 14' ' ' TRP . 47.7 mt -68.23 -48.11 66.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.367 1.067 . . . . 0.0 112.246 176.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.68 -41.7 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.577 -0.702 . . . . 0.0 112.052 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -63.29 -40.42 97.31 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.181 0.992 . . . . 0.0 112.61 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -60.84 -40.24 92.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.156 1.382 . . . . 0.0 113.537 170.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.97 90.26 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.419 -0.801 . . . . 0.0 111.034 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mmm -60.57 -45.48 93.76 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 73.8 p -73.13 -31.14 64.1 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 5.2 t -83.3 4.63 26.3 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.93 20.71 80.02 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.195 -0.94 . . . . 0.0 114.894 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . 0.5 HG13 ' CB ' ' D' ' 38' ' ' GLN . 23.5 t -59.44 144.99 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.596 1.558 . . . . 0.0 111.015 176.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 65.3 m -56.82 110.95 0.89 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.177 0.991 . . . . 0.0 112.171 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -65.59 -28.0 68.82 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -67.89 -40.61 83.46 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.767 0.712 . . . . 0.0 112.368 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -61.96 -29.15 70.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 118.409 0.55 . . . . 0.0 112.381 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -53.75 51.06 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.109 0.868 . . . . 0.0 110.959 171.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -64.23 -49.2 72.89 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.43 1.092 . . . . 0.0 113.0 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.76 -38.97 93.1 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -74.7 -33.66 62.46 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.563 1.145 . . . . 0.0 112.041 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -54.27 33.49 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.641 -0.662 . . . . 0.0 110.299 165.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.42 -32.21 73.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.257 0.623 . . . . 0.0 112.529 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -58.74 -54.64 44.77 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.607 1.163 . . . . 0.0 112.199 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLN . . . . . 0.44 ' CB ' HG13 ' D' ' 26' ' ' VAL . 95.0 mm-40 -67.23 -40.85 86.4 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.581 0.628 . . . . 0.0 111.585 177.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -53.69 -41.17 66.64 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.649 0.78 . . . . 0.0 111.17 173.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -53.91 -23.08 11.59 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.641 1.977 . . . . 0.0 114.489 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -116.95 -40.83 3.09 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.542 1.537 . . . . 0.0 113.484 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -74.36 -25.37 59.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.824 1.25 . . . . 0.0 113.79 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 93.8 p -135.07 -20.09 1.71 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.252 1.421 . . . . 0.0 114.036 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.67 27.95 14.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.894 2.078 . . . . 0.0 113.942 170.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -70.77 -22.92 62.33 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 57.95 42.01 23.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.54 1.536 . . . . 0.0 113.94 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.348 1.459 . . . . 0.0 114.151 175.762 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m -64.66 148.26 51.33 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.596 1.159 . . . . 0.0 112.988 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -69.8 150.89 46.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.903 0.881 . . . . 0.0 112.558 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 35.3 mmt -77.87 83.7 4.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.301 1.44 . . . . 0.0 111.455 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.21 -46.87 66.35 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 51.74 32.98 10.24 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.303 1.841 . . . . 0.0 115.358 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -76.5 53.53 0.87 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.808 1.643 . . . . 0.0 111.904 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.88 -21.26 47.03 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.667 1.603 . . . . 0.0 113.591 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 141.27 54.99 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.034 1.334 . . . . 0.0 111.518 169.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.7 tm? -129.55 135.56 48.74 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.238 1.415 . . . . 0.0 109.989 165.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -63.43 132.09 50.3 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.949 0.499 . . . . 0.0 111.561 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -58.33 -26.35 62.98 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.923 -1.11 . . . . 0.0 113.376 -172.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -61.53 -26.4 67.91 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.752 2.021 . . . . 0.0 114.948 173.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' TRP . . . . . 0.605 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.2 m95 -100.2 -32.1 11.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.826 0.85 . . . . 0.0 112.646 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -55.43 -44.64 76.48 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.518 1.527 . . . . 0.0 111.113 170.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -32.6 74.13 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 177.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' D' ' 14' ' ' TRP . 71.3 mt -68.46 -45.03 73.55 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.343 1.057 . . . . 0.0 112.09 174.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.514 HG22 HD21 ' C' ' 10' ' ' LEU . 11.7 p -67.4 -42.11 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 121.785 -0.572 . . . . 0.0 112.328 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -58.19 -41.72 84.54 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.035 -1.041 . . . . 0.0 112.354 169.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.95 -38.41 78.97 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.92 0.888 . . . . 0.0 112.469 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.12 -44.68 71.92 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.196 0.907 . . . . 0.0 111.076 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.6 mmm -61.52 -40.5 94.85 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.768 0.427 . . . . 0.0 111.857 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 60.8 p -83.46 -32.31 26.09 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -83.77 8.37 14.89 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.17 19.27 78.49 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.193 -0.942 . . . . 0.0 114.484 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . 0.44 HG13 ' CB ' ' C' ' 38' ' ' GLN . 41.6 t -64.9 144.29 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.323 1.449 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 60.9 m -58.82 114.75 2.69 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.92 0.888 . . . . 0.0 111.868 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -66.65 -28.58 68.58 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.319 0.648 . . . . 0.0 112.706 -171.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -65.87 -39.43 90.7 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.453 0.701 . . . . 0.0 112.708 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -60.05 -29.29 68.43 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.306 0.642 . . . . 0.0 112.315 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.24 -56.35 19.18 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.132 0.878 . . . . 0.0 111.515 175.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.45 -45.24 84.53 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.575 0.75 . . . . 0.0 112.69 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.12 -41.7 97.13 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.426 ' HA ' ' HB3' ' D' ' 37' ' ' TYR . 0.0 OUTLIER -73.62 -33.86 64.76 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.301 1.04 . . . . 0.0 112.972 174.511 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -52.53 52.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.842 0.746 . . . . 0.0 109.192 169.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -65.85 -41.07 92.16 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.682 0.793 . . . . 0.0 112.593 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' D' ' 34' ' ' PHE . 3.3 t80 -52.98 -46.83 68.44 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.212 1.405 . . . . 0.0 111.947 175.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' GLN . . . . . 0.5 ' CB ' HG13 ' C' ' 26' ' ' VAL . 82.7 mm-40 -71.84 -43.34 65.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.669 -0.681 . . . . 0.0 112.511 174.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -55.82 -40.23 72.49 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.452 1.024 . . . . 0.0 112.503 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -54.37 -26.27 29.19 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 129.209 3.004 . . . . 0.0 113.591 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -117.08 -38.91 3.29 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.659 1.584 . . . . 0.0 113.607 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -44.69 72.17 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.415 1.086 . . . . 0.0 112.463 176.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 33.3 p -116.47 -22.79 8.57 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.35 40.41 14.23 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.148 1.379 . . . . 0.0 113.319 175.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -56.61 139.4 50.13 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.584 -0.697 . . . . 0.0 110.632 163.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -152.01 154.66 36.45 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.299 1.04 . . . . 0.0 111.743 -168.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 125.506 1.522 . . . . 0.0 113.811 179.782 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -153.5 163.13 40.49 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.245 1.418 . . . . 0.0 111.874 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -67.75 152.35 45.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.868 1.267 . . . . 0.0 113.097 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.9 mtm -68.94 148.19 50.55 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.348 1.059 . . . . 0.0 112.677 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -71.75 -14.14 61.92 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.713 1.605 . . . . 0.0 115.257 -175.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -154.28 159.27 41.17 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.13 1.372 . . . . 0.0 112.866 -168.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -153.2 42.21 0.58 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.627 1.171 . . . . 0.0 112.508 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.0 14.13 65.32 Favored Glycine 0 CA--C 1.541 1.689 0 O-C-N 120.953 -1.092 . . . . 0.0 113.96 -170.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -154.67 142.98 20.45 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.51 2.724 . . . . 0.0 109.136 -167.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.807 HD21 HG22 ' B' ' 18' ' ' VAL . 1.2 tm? -70.22 126.32 29.31 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.575 0.703 . . . . 0.0 111.375 174.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 12.9 t0 -66.79 138.24 57.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.351 1.46 . . . . 0.0 111.713 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 t -58.33 -26.68 63.37 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.585 -1.322 . . . . 0.0 112.66 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.39 -27.68 69.47 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.703 1.601 . . . . 0.0 114.901 173.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.452 ' CD1' ' HB3' ' A' ' 11' ' ' ASP . 2.4 m95 -99.99 -31.98 11.19 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.133 0.879 . . . . 0.0 112.42 176.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -53.94 -47.48 71.22 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.111 1.364 . . . . 0.0 109.98 171.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -33.01 74.92 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.821 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 14' ' ' TRP . 75.7 mt -69.72 -47.9 61.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.604 1.162 . . . . 0.0 111.921 177.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.451 HG22 HD21 ' B' ' 10' ' ' LEU . 11.6 p -67.7 -41.49 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.647 -0.658 . . . . 0.0 111.989 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -65.04 -36.85 85.69 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.832 -1.167 . . . . 0.0 112.759 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.45 -42.24 86.95 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.204 1.002 . . . . 0.0 112.14 167.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.25 -44.78 87.07 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 119.145 0.884 . . . . 0.0 111.049 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.3 mmm -62.63 -48.88 77.44 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.1 p -70.61 -27.69 64.27 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.9 t -74.33 -28.43 61.15 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.276 0.944 . . . . 0.0 112.275 175.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.99 23.33 55.72 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.567 -0.708 . . . . 0.0 113.009 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.417 HG13 ' CB ' ' B' ' 38' ' ' GLN . 16.0 t -58.9 147.11 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.847 1.659 . . . . 0.0 110.367 170.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.5 m -61.28 101.12 0.15 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.767 0.827 . . . . 0.0 112.755 -174.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -62.59 -25.81 68.27 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.549 1.14 . . . . 0.0 113.572 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -65.87 -37.37 85.98 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -63.36 -33.83 76.39 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 119.023 -0.513 . . . . 0.0 111.175 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -56.44 16.82 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.807 0.843 . . . . 0.0 111.164 174.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -64.29 -51.12 65.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.89 0.876 . . . . 0.0 113.173 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -65.89 -38.52 88.97 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -68.96 -33.58 73.93 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.116 0.871 . . . . 0.0 111.946 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' B' ' 21' ' ' ALA . 0.2 OUTLIER -56.77 -54.55 45.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.185 0.594 . . . . 0.0 111.13 171.247 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.12 -36.49 82.02 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -54.86 -54.64 39.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.855 0.862 . . . . 0.0 112.161 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' CB ' HG13 ' B' ' 26' ' ' VAL . 83.7 mm-40 -67.35 -36.8 82.13 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 118.333 -0.842 . . . . 0.0 112.67 177.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -55.83 -52.41 64.14 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.605 1.548 . . . . 0.0 110.811 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -73.82 -13.16 60.89 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -91.56 -49.73 6.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.226 1.41 . . . . 0.0 112.78 169.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -82.45 -51.82 7.47 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.641 2.376 . . . . 0.0 113.155 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -89.0 -33.0 17.34 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.503 0.721 . . . . 0.0 111.447 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.9 39.03 20.82 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.198 1.399 . . . . 0.0 112.398 174.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -57.66 136.3 56.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.379 1.472 . . . . 0.0 111.326 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -85.86 -17.94 34.22 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 126.758 2.023 . . . . 0.0 112.154 -176.712 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -73.17 -22.47 60.48 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -69.05 147.77 51.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.17 0.988 . . . . 0.0 112.964 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 24.6 ptp -152.1 -4.95 0.24 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.51 1.524 . . . . 0.0 113.741 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -59.92 126.8 28.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.66 1.584 . . . . 0.0 111.864 -175.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . 0.285 94.4 m-85 57.84 14.97 2.77 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 117.132 2.271 . . . . 0.0 117.132 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -76.65 51.22 0.73 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.731 1.212 . . . . 0.0 111.494 166.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.79 -10.1 75.34 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.937 1.256 . . . . 0.0 114.177 -171.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.8 149.7 37.87 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.795 1.638 . . . . 0.0 111.814 171.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.567 HD11 ' HB2' ' B' ' 14' ' ' TRP . 2.6 tm? -135.58 141.23 45.11 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.944 1.698 . . . . 0.0 110.375 171.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 9.0 t0 -67.52 137.01 55.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.667 0.787 . . . . 0.0 112.192 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 37.8 t -56.78 -28.67 61.67 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.87 -1.144 . . . . 0.0 112.753 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.38 -25.6 68.09 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.567 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.2 m95 -103.17 -31.25 10.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.26 1.024 . . . . 0.0 112.435 176.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -53.31 -46.34 69.35 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.052 1.341 . . . . 0.0 109.802 170.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -35.13 79.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.234 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 14' ' ' TRP . 74.9 mt -68.08 -48.22 66.13 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.03 1.332 . . . . 0.0 111.795 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.807 HG22 HD21 ' A' ' 10' ' ' LEU . 9.3 p -66.19 -41.34 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.892 -0.505 . . . . 0.0 112.002 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.575 ' HG2' HD23 ' A' ' 10' ' ' LEU . 36.0 mtm105 -65.23 -40.06 93.58 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.293 -0.879 . . . . 0.0 110.888 177.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.72 -41.13 81.15 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.295 1.038 . . . . 0.0 112.475 170.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.48 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -65.3 -43.48 90.95 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 119.243 0.928 . . . . 0.0 111.074 177.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 2.1 mmm -61.74 -46.12 90.97 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -80.22 -27.13 38.83 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.6 t -81.5 1.78 31.87 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 25.36 73.63 Favored Glycine 0 CA--C 1.537 1.443 0 O-C-N 120.69 -1.256 . . . . 0.0 113.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.428 HG13 ' CB ' ' A' ' 38' ' ' GLN . 25.4 t -67.3 148.25 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 110.817 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 53.5 m -57.55 99.77 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.901 1.28 . . . . 0.0 113.085 -175.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -60.32 -31.87 70.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.12 0.968 . . . . 0.0 112.861 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -64.02 -35.98 82.48 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.185 1.394 . . . . 0.0 113.753 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -64.04 -34.92 79.12 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.135 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -52.38 66.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.954 0.797 . . . . 0.0 111.493 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -64.13 -50.89 66.47 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -64.16 -44.74 91.18 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 119.196 -0.43 . . . . 0.0 111.842 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -26.83 63.81 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.479 1.036 . . . . 0.0 113.023 176.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -56.19 24.43 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.504 1.047 . . . . 0.0 110.875 168.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -67.9 -34.8 77.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.768 0.427 . . . . 0.0 112.056 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -56.25 -54.44 45.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.997 0.919 . . . . 0.0 112.677 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.417 ' CB ' HG13 ' A' ' 26' ' ' VAL . 55.0 mm-40 -66.93 -35.86 80.95 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 118.181 -0.914 . . . . 0.0 112.254 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.04 -51.22 68.59 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 120.934 1.697 . . . . 0.0 110.488 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -75.03 -3.98 35.7 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -46.43 5.0 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.73 1.612 . . . . 0.0 112.466 170.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -55.58 4.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 127.081 2.152 . . . . 0.0 112.625 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.4 t -85.89 -37.05 19.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.729 0.812 . . . . 0.0 111.585 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.18 37.61 28.48 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.797 1.239 . . . . 0.0 112.065 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -61.64 140.99 58.09 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.332 1.453 . . . . 0.0 112.372 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -82.77 -15.54 51.34 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.554 2.342 . . . . 0.0 111.043 178.127 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -66.13 -22.21 66.38 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.125 0.97 . . . . 0.0 112.978 171.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -133.57 169.64 16.69 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.307 2.243 . . . . 0.0 110.193 168.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.4 156.03 38.66 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.872 0.869 . . . . 0.0 111.944 175.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -69.05 -13.98 62.76 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.686 1.195 . . . . 0.0 113.832 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' D' ' 22' ' ' MET . 11.3 t80 -147.6 144.03 28.15 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.825 1.65 . . . . 0.0 110.69 174.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -149.47 49.97 0.95 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.29 1.036 . . . . 0.0 111.885 -174.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.34 17.18 72.09 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.214 0.912 . . . . 0.0 114.554 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -145.17 129.02 17.35 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.03 1.732 . . . . 0.0 110.817 -172.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' LEU . . . . . 0.759 HD21 HG22 ' D' ' 18' ' ' VAL . 1.0 OUTLIER -72.31 136.83 46.34 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.566 1.146 . . . . 0.0 110.986 176.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -77.46 21.17 0.27 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.187 2.292 . . . . 0.0 117.187 -164.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m 63.54 -32.84 0.12 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 130.18 3.392 . . . . 0.0 115.81 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -63.98 -47.97 78.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 126.037 1.735 . . . . 0.0 110.983 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.586 ' HB2' HD11 ' C' ' 10' ' ' LEU . 4.9 m95 -74.05 -27.43 60.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.658 0.783 . . . . 0.0 111.672 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.17 -51.79 58.96 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.189 1.795 . . . . 0.0 110.808 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -65.2 -28.25 69.25 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.567 176.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.44 -48.71 63.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.478 1.111 . . . . 0.0 113.645 172.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.418 HG22 HD21 ' D' ' 10' ' ' LEU . 9.6 p -64.76 -39.72 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 120.674 -1.266 . . . . 0.0 111.837 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -64.48 -37.95 89.31 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.756 1.222 . . . . 0.0 112.232 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.98 -41.66 83.45 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.42 1.088 . . . . 0.0 112.301 167.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.61 78.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.76 1.164 . . . . 0.0 111.558 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 3.8 mmm -60.52 -37.68 81.92 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 57.3 p -85.99 -31.2 22.18 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.86 8.49 19.96 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.664 1.12 . . . . 0.0 114.014 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.91 19.83 78.42 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.639 1.114 . . . . 0.0 114.569 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . 0.491 HG13 ' CB ' ' D' ' 38' ' ' GLN . 39.1 t -70.21 146.06 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.761 1.625 . . . . 0.0 111.392 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 62.8 m -59.71 110.01 1.05 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.16 0.984 . . . . 0.0 112.555 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -65.98 -27.54 68.22 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.72 -36.44 82.47 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -62.99 -29.02 70.5 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -54.76 43.13 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.056 0.844 . . . . 0.0 111.216 173.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -65.16 -50.09 67.3 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.233 0.613 . . . . 0.0 112.632 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -65.94 -36.95 84.76 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -74.54 -31.77 62.22 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.398 0.999 . . . . 0.0 112.343 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.45 -53.91 50.37 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.832 0.742 . . . . 0.0 109.93 166.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -60.51 -37.0 79.72 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.503 0.721 . . . . 0.0 112.151 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -62.21 -48.56 79.46 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.701 1.2 . . . . 0.0 113.56 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' GLN . . . . . 0.468 ' CB ' HG13 ' D' ' 26' ' ' VAL . 93.7 mm-40 -68.83 -40.9 79.19 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.053 -1.029 . . . . 0.0 111.228 175.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -54.57 -38.51 66.75 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.801 0.841 . . . . 0.0 111.138 172.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -54.29 -26.27 28.37 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 128.441 2.696 . . . . 0.0 114.484 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -121.66 -40.2 2.57 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.799 1.24 . . . . 0.0 113.257 -177.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -73.13 -22.99 60.42 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.837 1.255 . . . . 0.0 113.149 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -132.68 -26.06 1.83 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.653 1.181 . . . . 0.0 113.423 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.48 27.61 17.12 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.641 1.976 . . . . 0.0 114.092 175.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.24 -21.69 56.06 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 62.86 -37.0 0.14 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.837 2.855 . . . . 0.0 116.305 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.508 1.923 . . . . 0.0 113.698 -179.74 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -62.92 147.16 51.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.531 1.132 . . . . 0.0 112.964 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 50.1 m170 -69.68 148.33 49.42 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.897 0.879 . . . . 0.0 112.57 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 56.5 mtt -76.79 -28.35 55.59 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.369 1.068 . . . . 0.0 112.836 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -81.59 117.62 22.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.137 0.975 . . . . 0.0 110.66 171.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -85.69 160.53 19.53 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.234 1.014 . . . . 0.0 113.027 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -139.88 61.27 1.54 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.648 1.579 . . . . 0.0 110.593 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.16 -17.16 44.04 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.136 1.351 . . . . 0.0 114.361 -175.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -56.21 149.1 16.76 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.219 1.808 . . . . 0.0 111.859 169.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.7 tm? -138.94 135.32 34.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.352 1.061 . . . . 0.0 109.806 160.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 9.0 t0 -62.15 136.54 57.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.463 0.705 . . . . 0.0 111.928 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -56.2 -30.24 62.01 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.019 -1.051 . . . . 0.0 112.339 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -60.43 -28.27 68.14 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' TRP . . . . . 0.572 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.4 m95 -102.04 -31.09 10.81 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.42 1.009 . . . . 0.0 112.315 177.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -53.77 -48.69 69.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.511 1.124 . . . . 0.0 109.851 170.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -35.83 81.57 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.067 -177.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' D' ' 14' ' ' TRP . 74.6 mt -65.91 -45.64 81.19 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.124 1.369 . . . . 0.0 111.879 176.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.759 HG22 HD21 ' C' ' 10' ' ' LEU . 14.9 p -67.01 -43.06 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 178.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.643 ' HG2' HD23 ' C' ' 10' ' ' LEU . 17.7 mtm105 -63.07 -38.27 90.53 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.719 -0.613 . . . . 0.0 110.492 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.97 -40.18 88.21 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.452 1.101 . . . . 0.0 113.192 170.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.85 84.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.381 0.991 . . . . 0.0 111.196 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . 0.426 ' HB3' ' CD1' ' C' ' 6' ' ' TYR . 17.3 mmt -57.34 -44.65 84.46 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 173.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 82.8 p -82.97 -31.82 27.39 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.2 t -84.12 7.17 19.69 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.26 21.66 79.2 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.219 0.914 . . . . 0.0 114.405 175.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' C' ' 38' ' ' GLN . 26.2 t -67.29 145.9 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.95 1.7 . . . . 0.0 111.088 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -60.1 108.91 0.85 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.928 0.891 . . . . 0.0 111.889 -174.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -65.36 -26.76 68.16 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -173.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.13 -37.58 86.07 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 118.794 0.725 . . . . 0.0 112.496 172.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -62.38 -28.94 70.12 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.209 0.604 . . . . 0.0 112.361 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.24 -56.57 18.46 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.51 0.595 . . . . 0.0 110.548 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.19 -48.29 68.36 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.077 0.951 . . . . 0.0 113.05 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.41 -40.61 97.08 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -74.58 -32.72 62.47 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.91 0.884 . . . . 0.0 112.557 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -53.57 50.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.802 0.728 . . . . 0.0 110.273 168.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -63.99 -38.71 92.09 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.962 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -57.83 -47.76 81.72 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.727 1.149 . . . . 0.0 113.156 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' GLN . . . . . 0.491 ' CB ' HG13 ' C' ' 26' ' ' VAL . 89.0 mm-40 -69.98 -39.55 75.87 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.02 -1.05 . . . . 0.0 112.024 175.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -55.77 -41.03 73.43 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.086 171.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -57.04 -19.92 21.62 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 129.312 3.045 . . . . 0.0 114.364 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -119.92 -42.9 2.58 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.708 1.603 . . . . 0.0 113.219 -173.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -80.58 -25.88 38.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.917 1.687 . . . . 0.0 113.138 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -131.59 -16.5 3.01 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.285 0.0 OUTLIER 64.64 22.1 12.55 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.769 2.028 . . . . 0.0 114.578 176.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -83.38 148.05 27.54 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.193 1.397 . . . . 0.0 111.266 159.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -79.2 -24.85 42.85 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 C--O 1.251 1.142 0 C-N-CA 128.063 2.545 . . . . 0.0 111.371 -178.437 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -70.27 174.23 5.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.47 2.308 . . . . 0.0 113.374 -2.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -59.41 153.82 18.31 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.292 1.837 . . . . 0.0 113.81 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.7 ptp -75.11 162.2 28.73 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.677 1.191 . . . . 0.0 112.745 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -77.64 41.46 0.33 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.01 1.724 . . . . 0.0 113.316 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' B' ' 22' ' ' MET . 3.3 t80 -153.59 157.33 39.53 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.858 -1.151 . . . . 0.0 112.929 -166.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -142.25 42.17 1.64 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.23 1.412 . . . . 0.0 111.535 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.37 19.27 74.21 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.545 1.069 . . . . 0.0 114.527 -175.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -149.4 127.4 11.92 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.483 1.513 . . . . 0.0 111.468 -170.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.738 HD21 HG22 ' B' ' 18' ' ' VAL . 0.8 OUTLIER -70.6 131.41 43.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.772 0.829 . . . . 0.0 109.629 173.787 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -77.11 24.09 0.18 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 -162.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m 63.68 -32.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 130.432 3.493 . . . . 0.0 115.883 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -62.04 -50.53 71.62 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.628 1.971 . . . . 0.0 110.395 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' HB2' HD11 ' A' ' 10' ' ' LEU . 3.6 m95 -75.15 -27.04 59.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.698 1.199 . . . . 0.0 111.947 -175.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -65.95 -50.75 63.28 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.406 1.882 . . . . 0.0 111.215 173.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -29.5 68.87 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 118.318 -0.848 . . . . 0.0 112.405 176.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -65.48 -46.19 80.74 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.412 1.085 . . . . 0.0 113.142 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.5 -39.66 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 121.055 -1.028 . . . . 0.0 111.928 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -61.0 -40.26 92.83 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.09 -1.006 . . . . 0.0 112.043 170.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -40.44 80.84 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.237 1.015 . . . . 0.0 112.01 171.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -43.93 79.08 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.582 1.083 . . . . 0.0 111.685 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.9 mmm -62.63 -37.17 85.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.065 0.546 . . . . 0.0 112.163 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -87.59 -34.0 18.69 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -85.58 8.75 18.22 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.16 22.51 68.06 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.425 1.012 . . . . 0.0 115.101 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -73.68 148.03 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.098 1.359 . . . . 0.0 111.979 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.2 m -65.88 103.15 0.87 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.93 0.892 . . . . 0.0 112.923 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -60.83 -27.64 68.22 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.554 1.542 . . . . 0.0 114.137 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -65.96 -35.18 79.89 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -67.36 -30.64 70.5 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 118.778 -0.629 . . . . 0.0 111.868 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -53.39 46.56 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.301 1.04 . . . . 0.0 110.812 174.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -63.5 -50.14 70.82 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.863 0.865 . . . . 0.0 113.005 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -65.22 -36.89 85.57 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -68.88 -35.72 77.22 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.689 0.796 . . . . 0.0 111.492 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -54.79 42.03 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.505 0.722 . . . . 0.0 111.016 170.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.92 -42.98 99.15 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.409 0.549 . . . . 0.0 111.614 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.91 -52.48 60.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.3 1.04 . . . . 0.0 112.362 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' CB ' HG13 ' B' ' 26' ' ' VAL . 99.1 mm-40 -69.65 -39.33 77.16 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.964 0.802 . . . . 0.0 112.965 177.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -56.11 -49.2 74.55 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.099 1.318 . . . . 0.0 110.806 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -81.96 3.59 25.88 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.53 -46.64 4.5 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.746 -1.222 . . . . 0.0 112.486 164.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -81.03 -50.29 9.86 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 127.336 2.254 . . . . 0.0 113.772 -176.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 t -93.61 -39.79 10.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.715 0.806 . . . . 0.0 112.079 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.56 37.28 28.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.8 1.24 . . . . 0.0 112.237 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -64.99 149.67 49.4 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.389 1.476 . . . . 0.0 112.758 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -87.87 -17.33 31.67 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.002 1.721 . . . . 0.0 113.487 -178.624 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -71.08 164.44 25.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.197 0.999 . . . . 0.0 112.969 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -68.69 164.65 21.15 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.668 1.187 . . . . 0.0 113.093 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.62 146.73 54.45 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.161 0.985 . . . . 0.0 111.789 174.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -78.26 119.72 22.01 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.653 -0.654 . . . . 0.0 111.749 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -84.45 63.86 8.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 122.759 1.266 . . . . 0.0 111.599 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -75.02 8.29 2.65 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.585 1.554 . . . . 0.0 113.652 169.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.34 -31.5 0.38 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.665 1.602 . . . . 0.0 114.034 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -64.22 147.6 51.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.275 1.038 . . . . 0.0 112.641 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.0 tm? -140.28 141.29 35.81 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.373 1.469 . . . . 0.0 110.509 165.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.413 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 8.7 t0 -63.48 139.48 58.77 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.277 0.56 . . . . 0.0 112.097 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.2 p -58.1 -31.03 66.73 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.798 -1.189 . . . . 0.0 113.407 -176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.34 -28.18 69.83 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.331 1.853 . . . . 0.0 114.789 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.644 ' HB2' HD11 ' B' ' 10' ' ' LEU . 1.9 m95 -99.95 -31.87 11.25 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.231 0.923 . . . . 0.0 112.16 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -54.32 -49.96 68.48 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.232 1.013 . . . . 0.0 109.552 170.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -35.01 77.94 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.769 -0.634 . . . . 0.0 112.293 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 14' ' ' TRP . 68.2 mt -65.94 -45.55 81.4 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.829 1.251 . . . . 0.0 112.457 175.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.738 HG22 HD21 ' A' ' 10' ' ' LEU . 13.6 p -69.81 -42.38 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.638 ' HG2' HD23 ' A' ' 10' ' ' LEU . 16.2 mtm105 -60.72 -39.1 87.35 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.779 0.832 . . . . 0.0 110.29 175.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.84 -41.68 96.29 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.512 1.125 . . . . 0.0 113.258 169.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.89 97.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 119.544 1.065 . . . . 0.0 110.968 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.421 ' HB3' ' CD1' ' A' ' 6' ' ' TYR . 28.2 mmt -60.29 -52.44 65.28 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 173.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -73.89 -30.85 62.83 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.37 8.44 27.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.866 1.266 . . . . 0.0 113.517 -179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.69 26.1 70.43 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.515 1.055 . . . . 0.0 115.184 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.414 HG13 ' CB ' ' A' ' 38' ' ' GLN . 24.2 t -69.9 149.39 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.126 1.37 . . . . 0.0 112.138 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.0 m -56.1 110.0 0.68 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.524 1.13 . . . . 0.0 112.351 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.89 -39.61 95.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.547 0.739 . . . . 0.0 112.141 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -61.57 -35.77 78.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.402 1.481 . . . . 0.0 113.924 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -62.7 -34.84 77.96 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.635 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -51.1 68.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.27 0.941 . . . . 0.0 111.491 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -64.59 -49.2 72.06 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.17 0.988 . . . . 0.0 112.853 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -63.81 -43.14 97.15 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 118.862 -0.59 . . . . 0.0 112.023 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -33.54 76.02 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.5 1.046 . . . . 0.0 112.32 173.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -57.08 13.8 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.242 0.928 . . . . 0.0 111.332 171.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -68.95 -34.43 75.35 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -56.98 -52.68 64.28 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.368 -0.833 . . . . 0.0 112.458 170.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -64.23 -41.29 97.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.705 175.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -56.73 -51.11 70.13 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.517 1.508 . . . . 0.0 111.089 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -83.6 -0.69 51.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -176.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -47.47 5.64 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.598 1.159 . . . . 0.0 112.635 160.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -42.58 13.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.469 1.908 . . . . 0.0 113.575 -165.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 27.6 t -95.09 -31.44 13.56 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.098 0.959 . . . . 0.0 111.578 168.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.12 52.46 7.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.658 1.583 . . . . 0.0 111.952 173.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -69.86 91.37 0.64 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.07 1.748 . . . . 0.0 112.26 -169.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.07 148.37 44.38 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.031 0.932 . . . . 0.0 112.587 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.864 1.666 . . . . 0.0 112.358 -178.809 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.534 -0.627 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -70.68 156.81 39.01 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.506 1.122 . . . . 0.0 112.982 176.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -70.57 145.88 50.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.085 0.954 . . . . 0.0 112.191 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 34.7 mmt -73.65 149.19 42.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.766 0.827 . . . . 0.0 112.107 175.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -78.14 -12.95 60.03 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -78.61 150.47 32.7 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.386 1.474 . . . . 0.0 113.668 -171.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -147.82 44.36 1.09 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.722 1.209 . . . . 0.0 112.419 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.68 20.19 77.14 Favored Glycine 0 CA--C 1.539 1.547 0 O-C-N 121.257 -0.902 . . . . 0.0 114.624 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -151.47 128.22 10.89 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.043 1.737 . . . . 0.0 110.422 -170.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' LEU . . . . . 0.722 HD21 HG22 ' D' ' 18' ' ' VAL . 1.0 OUTLIER -71.4 126.75 30.48 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 111.29 178.293 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -67.62 130.57 43.44 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.272 1.029 . . . . 0.0 110.531 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.8 m -57.41 -25.35 59.45 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.071 -1.018 . . . . 0.0 113.541 -172.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.41 -28.31 69.6 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.277 1.831 . . . . 0.0 114.101 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.536 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.2 m95 -93.34 -34.11 13.62 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.472 1.033 . . . . 0.0 112.863 175.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.32 -46.81 72.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.79 1.236 . . . . 0.0 110.299 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -32.12 73.3 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.802 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' C' ' 14' ' ' TRP . 39.2 mt -69.3 -45.66 69.06 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.487 1.115 . . . . 0.0 112.311 175.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.37 -43.04 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.57 -0.706 . . . . 0.0 111.585 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -56.07 -46.56 78.96 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.665 1.186 . . . . 0.0 112.429 170.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -58.22 -42.43 86.25 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.034 1.334 . . . . 0.0 112.958 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.96 91.21 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.465 -0.772 . . . . 0.0 111.636 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 4.6 mmm -59.62 -41.65 90.91 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 70.1 p -80.35 -30.47 38.0 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -82.93 6.99 16.72 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.42 18.26 79.29 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.888 0.756 . . . . 0.0 114.418 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' D' ' 38' ' ' GLN . 17.3 t -62.4 144.86 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.469 1.508 . . . . 0.0 110.82 176.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 74.2 m -58.65 112.67 1.7 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.813 0.845 . . . . 0.0 111.677 -175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -63.53 -32.54 74.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.69 0.796 . . . . 0.0 112.218 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -65.92 -37.3 85.71 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.522 1.129 . . . . 0.0 113.432 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -63.12 -29.08 70.51 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -176.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.33 -46.69 87.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.281 0.946 . . . . 0.0 111.661 172.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -64.71 -48.23 75.4 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.663 0.665 . . . . 0.0 112.218 172.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.9 -36.3 83.93 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -29.68 58.32 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 120.215 1.37 . . . . 0.0 112.001 173.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' D' ' 21' ' ' ALA . 0.2 OUTLIER -56.21 -50.94 69.82 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.924 0.784 . . . . 0.0 110.454 165.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -60.47 -41.85 95.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.393 0.677 . . . . 0.0 112.09 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -57.55 -51.15 70.66 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.054 1.341 . . . . 0.0 112.529 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' GLN . . . . . 0.458 ' CB ' HG13 ' D' ' 26' ' ' VAL . 89.0 mm-40 -71.72 -38.3 70.52 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.765 -0.584 . . . . 0.0 111.789 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -55.79 -37.54 68.72 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.222 0.919 . . . . 0.0 111.244 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.58 -17.97 17.07 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.553 2.741 . . . . 0.0 115.295 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -128.14 -40.9 1.63 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.139 1.375 . . . . 0.0 113.437 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -75.29 -22.62 57.61 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.961 1.304 . . . . 0.0 113.006 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 32.3 t -128.49 -22.9 3.27 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.732 1.213 . . . . 0.0 113.331 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . 0.312 0.0 OUTLIER 64.11 36.51 9.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.035 2.134 . . . . 0.0 113.961 -178.206 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -67.58 160.35 27.97 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.666 1.187 . . . . 0.0 111.964 163.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -134.64 171.48 14.28 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.313 1.845 . . . . 0.0 111.898 -171.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 . . . . . 0 N--CA 1.485 1.3 0 C-N-CA 127.382 2.273 . . . . 0.0 115.024 177.802 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -74.25 -18.05 60.79 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -153.67 160.81 42.48 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.967 1.707 . . . . 0.0 111.597 -175.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 25.2 ptp -155.14 154.06 31.75 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.199 1.4 . . . . 0.0 111.738 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -83.18 171.45 13.65 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.116 0.967 . . . . 0.0 112.233 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -69.3 -33.58 73.38 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 36.4 t0 47.88 35.05 4.43 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.623 1.969 . . . . 0.0 114.401 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.45 -5.07 85.65 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.835 1.207 . . . . 0.0 115.872 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -82.14 157.17 24.14 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.174 1.487 . . . . 0.0 111.047 166.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.6 tm? -128.36 144.78 51.18 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.249 1.419 . . . . 0.0 111.559 174.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.423 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 8.8 t0 -69.25 137.1 52.84 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.624 0.769 . . . . 0.0 112.071 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.7 t -56.75 -30.15 63.28 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.645 -1.284 . . . . 0.0 113.059 -177.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.89 -24.17 67.63 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' TRP . . . . . 0.59 ' HB2' HD11 ' D' ' 10' ' ' LEU . 1.7 m95 -105.62 -29.52 10.08 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.469 1.108 . . . . 0.0 112.577 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -53.77 -48.54 69.64 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.55 1.14 . . . . 0.0 109.308 169.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -37.52 83.18 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.568 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.04 -50.0 67.91 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.979 1.311 . . . . 0.0 111.928 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.722 HG22 HD21 ' C' ' 10' ' ' LEU . 11.3 p -65.82 -41.15 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.701 0.682 . . . . 0.0 112.65 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.6 ' HG2' HD23 ' C' ' 10' ' ' LEU . 20.5 mtm105 -63.91 -42.42 97.42 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.518 -0.739 . . . . 0.0 110.304 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.04 -37.53 77.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.137 1.375 . . . . 0.0 113.266 172.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' C' ' 35' ' ' LEU . . . -67.24 -44.97 78.12 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.218 -0.927 . . . . 0.0 111.253 174.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mmm -60.9 -36.53 79.47 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 80.8 p -83.19 -32.87 26.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -83.4 8.31 14.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.696 1.135 . . . . 0.0 114.037 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.94 18.76 76.51 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.358 0.98 . . . . 0.0 114.279 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . 0.458 HG13 ' CB ' ' C' ' 38' ' ' GLN . 28.9 t -64.42 142.38 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.267 1.427 . . . . 0.0 110.662 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 75.3 m -58.38 112.98 1.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.049 0.94 . . . . 0.0 111.747 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -63.49 -25.92 68.48 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -172.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -70.22 -34.49 72.95 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.808 0.843 . . . . 0.0 113.27 171.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -62.28 -25.53 67.9 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 123.457 0.703 . . . . 0.0 112.588 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.16 -59.65 4.38 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.567 0.621 . . . . 0.0 111.167 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -63.11 -47.36 83.14 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.741 0.817 . . . . 0.0 112.838 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -66.36 -36.25 82.41 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -72.11 -35.6 69.2 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.063 -1.023 . . . . 0.0 112.017 171.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.28 -49.36 69.77 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.632 -0.668 . . . . 0.0 110.431 170.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.52 -45.85 92.47 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.923 1.289 . . . . 0.0 112.453 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.09 -47.1 68.81 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.871 1.268 . . . . 0.0 112.277 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' GLN . . . . . 0.468 ' CB ' HG13 ' C' ' 26' ' ' VAL . 93.8 mm-40 -74.4 -46.36 40.7 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 175.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.1 -35.15 61.82 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 117.767 -1.111 . . . . 0.0 111.208 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.56 -23.34 10.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.286 2.234 . . . . 0.0 114.615 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -127.24 -38.12 2.0 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.131 1.772 . . . . 0.0 113.109 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -67.93 -21.27 65.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.768 1.227 . . . . 0.0 113.268 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 45.5 p -138.4 -29.32 0.81 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.26 19.42 10.1 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.124 1.77 . . . . 0.0 113.923 -174.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -69.72 -33.79 72.98 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.701 -1.249 . . . . 0.0 113.519 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 58.94 25.16 13.41 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.354 1.462 . . . . 0.0 113.235 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 127.133 2.173 . . . . 0.0 112.359 -172.63 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -78.54 127.96 32.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.89 0.876 . . . . 0.0 111.203 172.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -140.79 154.33 46.21 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.291 1.436 . . . . 0.0 111.822 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.4 mtm -71.9 154.88 40.94 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.651 1.181 . . . . 0.0 112.806 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -71.88 -7.59 49.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.541 1.536 . . . . 0.0 113.987 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -146.97 144.89 29.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.228 1.811 . . . . 0.0 110.811 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -148.34 55.84 1.04 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.051 0.94 . . . . 0.0 112.416 -173.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.47 17.63 72.8 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.226 0.917 . . . . 0.0 115.149 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -145.11 126.76 15.17 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.872 1.669 . . . . 0.0 110.698 -173.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.658 HD21 HG22 ' B' ' 18' ' ' VAL . 0.7 OUTLIER -72.0 131.32 42.76 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.49 0.662 . . . . 0.0 111.366 175.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.7 t0 -69.2 131.67 45.3 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.168 0.987 . . . . 0.0 110.365 175.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -57.17 -25.62 59.27 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.138 -0.976 . . . . 0.0 113.301 -174.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.66 -26.02 68.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.332 1.853 . . . . 0.0 114.885 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.529 ' HB2' HD11 ' A' ' 10' ' ' LEU . 3.3 m95 -99.54 -32.93 10.86 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.273 0.942 . . . . 0.0 112.845 175.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -53.9 -46.6 71.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.341 1.457 . . . . 0.0 110.119 171.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -32.4 73.93 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 118.666 -0.683 . . . . 0.0 112.476 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 14' ' ' TRP . 52.5 mt -70.98 -50.0 39.18 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.813 1.245 . . . . 0.0 111.825 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.88 -42.32 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.874 -0.516 . . . . 0.0 111.773 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.0 ttp180 -62.58 -41.97 99.27 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.883 1.273 . . . . 0.0 112.506 175.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.8 -43.91 85.95 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.991 0.916 . . . . 0.0 112.636 170.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.97 97.81 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.549 0.613 . . . . 0.0 111.212 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.4 mmm -61.65 -44.25 97.32 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.1 p -81.71 -31.61 32.04 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -86.0 6.08 30.4 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.78 18.06 71.24 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.599 1.095 . . . . 0.0 115.492 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.402 HG13 ' CB ' ' B' ' 38' ' ' GLN . 13.1 t -68.44 149.85 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.465 1.506 . . . . 0.0 112.106 178.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.2 m -63.67 97.58 0.16 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.484 1.114 . . . . 0.0 112.695 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -60.07 -27.99 67.43 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.891 1.676 . . . . 0.0 113.862 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -61.25 -36.77 80.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.302 1.041 . . . . 0.0 113.576 169.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -65.64 -34.56 78.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 118.983 -0.532 . . . . 0.0 111.869 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -56.28 -49.37 74.42 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.744 0.702 . . . . 0.0 110.666 173.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -62.92 -53.16 58.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -61.96 -42.8 99.53 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 117.896 0.316 . . . . 0.0 111.35 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.13 -33.8 75.16 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.593 0.757 . . . . 0.0 112.253 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.32 -54.47 46.47 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.655 0.782 . . . . 0.0 111.054 173.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -69.24 -35.65 76.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 122.984 0.514 . . . . 0.0 112.182 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -55.18 -53.41 56.35 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.872 0.869 . . . . 0.0 112.199 167.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' CB ' HG13 ' B' ' 26' ' ' VAL . 95.5 mm-40 -65.79 -36.97 85.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 118.108 -0.949 . . . . 0.0 112.577 177.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -56.29 -50.69 70.68 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.647 1.567 . . . . 0.0 110.079 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -77.32 -12.73 59.99 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.81 -46.57 8.85 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.623 1.556 . . . . 0.0 113.035 167.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -83.29 -52.4 6.6 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.433 2.293 . . . . 0.0 113.313 -174.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -93.17 -35.04 13.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.087 0.955 . . . . 0.0 112.156 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.2 53.5 8.87 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.61 1.564 . . . . 0.0 112.389 171.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -73.54 49.13 0.28 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.951 2.1 . . . . 0.0 114.848 -170.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.75 138.96 55.28 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.517 1.127 . . . . 0.0 111.527 172.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.894 1.678 . . . . 0.0 112.175 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -80.27 139.83 36.48 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.833 0.853 . . . . 0.0 111.211 167.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -144.92 157.52 44.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.487 1.515 . . . . 0.0 111.43 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -65.22 135.61 55.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.334 1.054 . . . . 0.0 112.196 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -82.68 162.62 21.77 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.416 1.086 . . . . 0.0 112.68 177.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -80.38 163.78 23.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.276 1.03 . . . . 0.0 112.405 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -136.23 54.81 1.88 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.473 1.509 . . . . 0.0 110.96 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.93 -22.02 8.76 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.401 1.476 . . . . 0.0 114.671 -177.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -62.7 154.76 28.42 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.978 1.311 . . . . 0.0 111.62 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' B' ' 14' ' ' TRP . 3.1 tm? -133.21 135.67 45.17 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.049 1.339 . . . . 0.0 110.046 170.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.414 ' HB3' ' CD1' ' B' ' 14' ' ' TRP . 6.7 t0 -62.41 137.45 58.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.631 0.772 . . . . 0.0 112.32 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 42.3 t -57.54 -30.53 65.27 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.124 -0.985 . . . . 0.0 112.832 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.63 -26.19 67.84 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.608 ' HB2' HD11 ' B' ' 10' ' ' LEU . 2.0 m95 -103.21 -31.59 10.03 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.254 1.022 . . . . 0.0 112.218 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -53.39 -49.15 67.85 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.851 1.26 . . . . 0.0 109.448 169.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -34.79 77.96 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 14' ' ' TRP . 80.8 mt -65.54 -48.62 71.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.534 1.134 . . . . 0.0 111.82 175.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.658 HG22 HD21 ' A' ' 10' ' ' LEU . 11.0 p -66.41 -41.5 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.629 -0.669 . . . . 0.0 112.802 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.627 ' HG2' HD23 ' A' ' 10' ' ' LEU . 16.3 mtm180 -62.65 -41.86 99.28 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.41 -0.807 . . . . 0.0 110.669 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.06 -41.75 84.02 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.589 1.156 . . . . 0.0 112.302 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.44 94.24 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 118.865 0.757 . . . . 0.0 111.405 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 1.9 mmm -63.05 -42.81 99.8 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 81.8 p -77.92 -28.12 49.6 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.8 t -74.09 -27.3 60.82 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.906 0.775 . . . . 0.0 112.474 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.54 26.6 46.18 Favored Glycine 0 CA--C 1.536 1.402 0 O-C-N 121.379 -0.826 . . . . 0.0 112.841 -169.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.403 HG13 ' CB ' ' A' ' 38' ' ' GLN . 10.3 t -63.08 151.35 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.175 1.79 . . . . 0.0 110.952 173.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 55.7 m -60.96 96.49 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.114 0.966 . . . . 0.0 112.848 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -61.43 -27.67 68.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.633 1.173 . . . . 0.0 113.432 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -66.13 -35.59 80.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.108 1.363 . . . . 0.0 114.202 170.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -67.63 -29.48 68.8 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.226 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.22 -59.34 4.51 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.738 0.699 . . . . 0.0 110.36 173.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.79 -48.31 79.66 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.449 1.1 . . . . 0.0 113.359 -176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -65.2 -41.62 94.35 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 117.995 0.361 . . . . 0.0 111.516 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -68.35 -36.36 79.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.745 0.702 . . . . 0.0 112.249 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -54.74 39.37 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.794 1.238 . . . . 0.0 110.512 174.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.81 -35.45 72.52 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.82 0.848 . . . . 0.0 111.872 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.3 -49.77 71.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.177 0.991 . . . . 0.0 112.324 167.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.402 ' CB ' HG13 ' A' ' 26' ' ' VAL . 82.7 mm-40 -67.7 -39.14 84.41 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.32 0.964 . . . . 0.0 112.739 174.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -55.34 -46.57 76.39 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.63 1.559 . . . . 0.0 109.932 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -81.71 3.83 24.12 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -105.93 -47.71 3.8 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.172 1.389 . . . . 0.0 112.733 165.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.12 -47.73 41.7 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.741 2.016 . . . . 0.0 112.572 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -117.12 -27.93 6.36 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -166.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.16 36.74 27.95 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.35 1.46 . . . . 0.0 113.37 170.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -66.28 140.81 58.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.368 1.467 . . . . 0.0 113.308 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -80.08 -21.06 43.77 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.809 2.044 . . . . 0.0 112.919 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -65.84 152.89 43.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.746 1.218 . . . . 0.0 113.188 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -68.07 -33.98 75.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 70.1 mtm 58.96 18.61 6.37 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.187 1.795 . . . . 0.0 115.476 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -81.57 2.78 27.69 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.322 1.449 . . . . 0.0 113.52 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -154.3 153.78 32.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.251 1.421 . . . . 0.0 111.996 -164.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -147.21 45.96 1.15 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.569 1.147 . . . . 0.0 112.298 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.22 19.51 75.85 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.177 0.894 . . . . 0.0 114.795 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -149.48 127.94 12.27 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.737 1.615 . . . . 0.0 110.956 -170.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' LEU . . . . . 0.738 HD21 HG22 ' D' ' 18' ' ' VAL . 0.9 OUTLIER -71.69 124.87 25.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.678 0.751 . . . . 0.0 110.535 172.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' CD1' ' C' ' 14' ' ' TRP . 10.1 t0 -66.27 140.54 58.14 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.355 1.062 . . . . 0.0 111.167 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 90.1 p -57.88 -28.92 64.62 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.969 -1.082 . . . . 0.0 113.101 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.21 -28.66 69.83 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.751 2.02 . . . . 0.0 114.5 175.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.492 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.0 m95 -100.62 -32.5 10.72 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.372 0.987 . . . . 0.0 112.449 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.16 -47.03 72.41 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.741 1.216 . . . . 0.0 110.03 170.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -31.72 72.72 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.614 -0.708 . . . . 0.0 112.608 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' C' ' 14' ' ' TRP . 61.8 mt -69.69 -46.63 65.6 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.792 1.237 . . . . 0.0 112.015 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.479 HG22 HD21 ' D' ' 10' ' ' LEU . 14.9 p -67.17 -40.95 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 120.26 -0.576 . . . . 0.0 112.004 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 32.1 mtm105 -60.57 -41.77 95.31 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.09 -1.006 . . . . 0.0 111.761 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.96 -40.64 81.08 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.44 1.096 . . . . 0.0 112.564 173.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.02 85.4 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.605 -0.684 . . . . 0.0 110.729 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mmm -61.74 -38.31 87.48 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -81.68 -32.27 31.82 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 14.7 t -77.97 -3.43 41.94 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.17 23.03 76.31 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 120.592 -1.318 . . . . 0.0 113.452 -175.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . 0.497 HG13 ' CB ' ' D' ' 38' ' ' GLN . 17.0 t -62.97 145.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.742 1.617 . . . . 0.0 110.136 175.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 58.0 m -57.39 109.01 0.61 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.793 0.837 . . . . 0.0 111.936 -171.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -65.15 -27.21 68.57 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -172.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.0 -39.65 87.17 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.661 0.784 . . . . 0.0 112.639 171.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -59.91 -28.8 67.9 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.306 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -51.2 63.7 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.9 1.227 . . . . 0.0 111.477 173.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -66.54 -47.2 73.61 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.392 0.677 . . . . 0.0 112.692 173.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -63.51 -42.98 98.47 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -32.36 68.45 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.767 1.227 . . . . 0.0 112.724 173.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -54.02 47.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.438 1.017 . . . . 0.0 110.413 166.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.8 -38.53 91.43 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.439 -0.791 . . . . 0.0 112.237 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.34 -51.96 65.06 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.189 1.396 . . . . 0.0 112.241 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' GLN . . . . . 0.472 ' CB ' HG13 ' D' ' 26' ' ' VAL . 90.8 mm-40 -71.57 -40.32 70.03 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.704 -0.622 . . . . 0.0 112.18 176.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -54.11 -39.11 66.11 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.318 0.963 . . . . 0.0 111.25 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -54.86 -26.04 32.71 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 128.0 2.52 . . . . 0.0 114.222 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -117.6 -42.47 2.86 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.413 1.485 . . . . 0.0 113.652 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -72.9 -24.2 60.8 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.311 1.444 . . . . 0.0 113.102 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 42.0 t -129.76 -27.55 2.32 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.587 1.155 . . . . 0.0 113.54 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.01 40.83 11.8 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.067 1.747 . . . . 0.0 113.248 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -61.36 105.23 0.48 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.269 1.027 . . . . 0.0 110.371 166.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -79.07 -25.34 43.12 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.132 0.973 . . . . 0.0 113.269 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 C--O 1.253 1.252 0 C-N-CA 126.847 2.059 . . . . 0.0 112.546 -178.318 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -63.49 150.81 42.92 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.754 1.221 . . . . 0.0 113.323 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -151.45 153.47 34.72 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.273 1.429 . . . . 0.0 112.162 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -15.8 61.04 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.552 1.141 . . . . 0.0 113.531 172.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.03 151.86 45.05 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.121 0.969 . . . . 0.0 112.226 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -70.78 149.74 46.58 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.908 1.283 . . . . 0.0 113.028 -174.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -149.46 64.94 1.01 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.457 1.503 . . . . 0.0 110.84 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.36 -18.47 23.53 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.7 1.143 . . . . 0.0 114.703 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.56 144.88 56.89 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.622 1.569 . . . . 0.0 111.153 165.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' LEU . . . . . 0.653 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? -134.99 137.01 42.61 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.156 1.383 . . . . 0.0 110.123 167.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.404 ' O ' HD13 ' D' ' 10' ' ' LEU . 9.7 t0 -63.76 131.89 49.26 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.022 0.529 . . . . 0.0 111.434 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.9 m -58.64 -24.04 60.32 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.951 -1.093 . . . . 0.0 113.828 -171.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.57 -31.61 72.45 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.206 1.802 . . . . 0.0 114.275 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' TRP . . . . . 0.653 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.4 m95 -95.17 -31.78 13.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.361 0.982 . . . . 0.0 112.23 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -55.51 -47.87 75.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.984 1.714 . . . . 0.0 110.71 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -32.49 74.08 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.405 -0.81 . . . . 0.0 112.955 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' D' ' 14' ' ' TRP . 54.4 mt -69.27 -47.77 63.65 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.712 1.205 . . . . 0.0 112.025 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.738 HG22 HD21 ' C' ' 10' ' ' LEU . 7.8 p -64.48 -40.54 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 O-C-N 121.455 -0.778 . . . . 0.0 112.484 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.606 ' HG2' HD23 ' C' ' 10' ' ' LEU . 76.4 mtm180 -63.48 -41.31 98.58 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.479 -0.763 . . . . 0.0 110.887 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.01 -38.24 75.79 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.554 1.142 . . . . 0.0 112.952 171.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.1 79.73 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 121.367 -0.833 . . . . 0.0 111.176 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 3.4 mmm -62.15 -40.49 96.14 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 81.4 p -78.26 -35.58 47.94 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 5.8 t -79.91 5.44 13.83 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.49 22.53 76.53 Favored Glycine 0 CA--C 1.537 1.408 0 O-C-N 121.089 -1.007 . . . . 0.0 113.936 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' C' ' 38' ' ' GLN . 40.5 t -65.11 143.93 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.44 1.496 . . . . 0.0 110.743 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 74.1 m -58.24 110.75 1.01 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.817 0.847 . . . . 0.0 112.102 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -65.36 -27.78 68.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -67.64 -42.84 81.63 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 118.592 0.633 . . . . 0.0 111.874 170.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -60.94 -28.33 68.88 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -55.86 21.18 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.998 0.817 . . . . 0.0 111.107 170.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -66.0 -47.36 74.76 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.32 1.048 . . . . 0.0 113.005 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.18 -37.52 87.6 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.39 -34.34 63.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.271 1.028 . . . . 0.0 111.887 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.15 -52.32 59.12 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.659 -0.651 . . . . 0.0 110.378 166.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -65.18 -36.77 85.25 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.295 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -57.9 -48.84 78.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.732 1.213 . . . . 0.0 112.351 174.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' GLN . . . . . 0.497 ' CB ' HG13 ' C' ' 26' ' ' VAL . 95.5 mm-40 -69.47 -42.99 74.12 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.729 -0.607 . . . . 0.0 111.74 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -52.53 -43.43 65.14 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.089 0.859 . . . . 0.0 110.663 173.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -53.59 -21.64 7.03 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 128.533 2.733 . . . . 0.0 114.636 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -129.08 -37.83 1.66 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.853 1.661 . . . . 0.0 113.697 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -75.58 -28.2 58.86 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.129 1.372 . . . . 0.0 113.047 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 92.4 p -133.53 -16.04 2.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.413 1.085 . . . . 0.0 113.696 175.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . 0.263 0.0 OUTLIER 63.83 18.62 11.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.388 2.275 . . . . 0.0 114.403 177.328 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -80.4 145.09 32.17 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.336 -0.853 . . . . 0.0 110.93 158.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -92.52 -1.59 56.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.351 1.06 . . . . 0.0 113.044 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 127.627 2.371 . . . . 0.0 111.223 -170.607 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -154.57 -178.79 7.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.33 1.452 . . . . 0.0 111.586 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -55.42 157.0 4.04 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.309 1.844 . . . . 0.0 113.518 173.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.7 mtm -141.01 157.11 45.79 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.269 1.428 . . . . 0.0 112.189 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -73.18 177.6 4.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.855 1.262 . . . . 0.0 112.409 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.4 t80 68.58 -31.53 0.2 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 128.189 2.596 . . . . 0.0 117.682 170.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.3 t0 49.35 31.53 3.89 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.641 2.377 . . . . 0.0 114.936 171.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.54 18.52 75.59 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.759 1.171 . . . . 0.0 115.993 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -138.57 130.2 27.71 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.359 1.579 . . . . 0.0 112.211 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.641 HD21 HG22 ' B' ' 18' ' ' VAL . 1.1 tm? -69.66 128.07 35.16 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 175.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 9.3 t0 -66.82 137.62 56.74 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.927 1.291 . . . . 0.0 111.438 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -57.4 -29.08 63.81 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.942 -1.099 . . . . 0.0 112.317 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -60.67 -26.84 67.39 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.806 1.642 . . . . 0.0 115.372 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.486 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.6 m95 -102.63 -32.06 10.07 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.277 0.944 . . . . 0.0 112.575 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.5 -47.27 70.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.27 1.428 . . . . 0.0 110.001 170.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -35.16 79.89 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.499 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 14' ' ' TRP . 77.7 mt -67.63 -50.4 58.22 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.505 1.122 . . . . 0.0 111.688 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.429 HG22 HD21 ' B' ' 10' ' ' LEU . 11.6 p -65.71 -42.26 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.793 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 ttp-105 -61.55 -41.65 97.68 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.415 -0.803 . . . . 0.0 112.143 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.11 -40.72 81.93 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.578 1.151 . . . . 0.0 113.088 171.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HB2' HD21 ' B' ' 35' ' ' LEU . . . -67.09 -41.43 86.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.469 1.031 . . . . 0.0 111.389 176.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.2 mmm -62.71 -40.65 97.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.5 p -80.15 -37.27 33.82 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -84.13 5.81 24.78 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.17 17.81 80.17 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.51 1.052 . . . . 0.0 114.996 173.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 t -64.41 150.27 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.187 1.795 . . . . 0.0 111.762 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -61.21 96.61 0.05 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.842 1.257 . . . . 0.0 112.921 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -62.95 -25.36 68.32 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.498 1.119 . . . . 0.0 113.622 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -64.06 -34.55 78.27 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.076 1.35 . . . . 0.0 114.232 169.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -67.22 -32.33 73.32 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 118.879 -0.582 . . . . 0.0 111.899 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.57 -59.55 4.32 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.392 0.677 . . . . 0.0 110.855 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -61.53 -48.08 82.68 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.227 1.011 . . . . 0.0 113.214 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -65.9 -42.36 90.32 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.71 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -66.39 -36.32 82.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.063 0.847 . . . . 0.0 112.068 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.82 39.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.981 1.312 . . . . 0.0 110.635 174.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -69.3 -35.44 76.0 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.455 0.702 . . . . 0.0 112.281 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -54.33 46.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.669 169.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -64.75 -38.59 91.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.941 1.246 . . . . 0.0 112.584 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -54.75 -47.2 74.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 120.422 1.465 . . . . 0.0 109.912 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -76.67 -30.32 56.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -76.39 -41.29 48.4 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 121.075 1.761 . . . . 0.0 112.338 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -81.6 -50.51 9.26 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.051 2.14 . . . . 0.0 113.287 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 m -109.86 -27.5 9.24 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -171.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . 0.264 0.0 OUTLIER 52.19 62.42 2.71 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.618 1.967 . . . . 0.0 112.598 175.1 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.12 157.97 29.81 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.941 2.096 . . . . 0.0 112.652 -175.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -139.53 154.74 47.73 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.531 1.532 . . . . 0.0 111.606 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.036 1.734 . . . . 0.0 113.242 178.652 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -66.64 150.44 49.05 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.047 0.939 . . . . 0.0 112.946 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -67.97 -25.8 65.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.122 0.969 . . . . 0.0 112.764 169.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 71.9 mtm 61.25 -50.86 0.12 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.159 2.984 . . . . 0.0 115.813 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -64.09 -29.09 70.24 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.586 1.555 . . . . 0.0 112.973 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -106.4 22.44 15.77 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.373 1.869 . . . . 0.0 114.508 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -74.24 53.28 0.5 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.18 1.392 . . . . 0.0 112.068 170.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.34 16.71 48.99 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.641 1.115 . . . . 0.0 115.032 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.54 154.71 41.74 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.31 1.844 . . . . 0.0 110.964 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' B' ' 14' ' ' TRP . 2.7 tm? -135.1 137.71 43.1 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.989 1.315 . . . . 0.0 111.687 -173.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -63.79 139.61 58.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.857 0.863 . . . . 0.0 112.548 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -58.69 -30.16 67.18 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.796 -1.19 . . . . 0.0 113.611 -175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -64.33 -25.45 68.04 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.281 1.832 . . . . 0.0 114.837 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.606 ' HB2' HD11 ' B' ' 10' ' ' LEU . 1.8 m95 -103.5 -31.05 10.15 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.146 0.978 . . . . 0.0 112.311 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.68 -49.35 68.18 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.287 1.035 . . . . 0.0 109.013 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -34.37 75.83 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' B' ' 14' ' ' TRP . 67.7 mt -67.03 -48.36 68.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.009 1.324 . . . . 0.0 112.265 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.641 HG22 HD21 ' A' ' 10' ' ' LEU . 14.6 p -66.57 -41.83 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.428 -0.795 . . . . 0.0 112.446 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.576 ' HG2' HD23 ' A' ' 10' ' ' LEU . 13.5 mtm105 -65.91 -39.01 90.18 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.405 -0.809 . . . . 0.0 110.714 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.99 -45.79 86.23 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.014 0.926 . . . . 0.0 112.37 170.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.05 99.47 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.664 0.665 . . . . 0.0 111.711 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 2.6 mmm -62.93 -43.46 98.75 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 47.3 p -81.78 -31.62 31.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -86.9 4.24 42.25 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.88 21.49 59.34 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.45 1.024 . . . . 0.0 115.554 174.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 25.2 t -72.74 150.09 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.816 1.246 . . . . 0.0 112.127 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 51.0 m -59.16 102.23 0.12 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.948 1.299 . . . . 0.0 112.956 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -59.48 -33.81 71.8 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.067 1.347 . . . . 0.0 113.169 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -64.44 -36.21 83.43 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.045 1.338 . . . . 0.0 113.789 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -64.6 -33.41 75.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 118.828 -0.606 . . . . 0.0 111.87 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.44 -48.62 78.66 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.769 0.713 . . . . 0.0 110.715 173.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.404 ' HA ' HD22 ' A' ' 17' ' ' LEU . 12.1 tpt180 -63.62 -52.46 60.74 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -63.22 -40.64 98.03 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 117.857 0.299 . . . . 0.0 111.579 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -70.0 -32.96 71.4 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.666 -0.646 . . . . 0.0 112.323 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -57.69 -53.56 56.8 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.851 0.75 . . . . 0.0 110.909 172.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.24 -37.71 86.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.606 0.762 . . . . 0.0 112.035 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.64 -52.61 64.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.664 0.785 . . . . 0.0 112.806 171.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.73 -39.99 95.82 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.432 1.014 . . . . 0.0 111.663 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -56.77 -51.5 68.66 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.887 1.221 . . . . 0.0 111.025 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -78.69 -3.6 44.92 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -48.0 4.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.603 1.161 . . . . 0.0 112.616 164.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -43.97 16.0 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.21 1.804 . . . . 0.0 113.623 -169.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.4 t -98.17 -30.19 12.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.442 1.097 . . . . 0.0 111.86 173.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.79 51.52 7.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.64 1.576 . . . . 0.0 111.859 174.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -67.88 93.73 0.42 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.71 2.004 . . . . 0.0 111.792 -169.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -67.81 -24.44 65.3 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.254 1.332 0 C-N-CA 126.479 1.911 . . . . 0.0 112.399 -179.316 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.929 -0.468 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -63.46 139.4 58.77 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.956 0.902 . . . . 0.0 112.235 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -155.52 155.14 32.9 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.307 1.443 . . . . 0.0 112.036 -175.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 32.0 tpp -82.45 143.52 31.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.36 1.064 . . . . 0.0 113.302 -174.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -141.19 149.05 40.92 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.083 1.753 . . . . 0.0 109.587 166.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 61.66 -3.12 0.23 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 52.3 23.12 2.26 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 128.083 2.553 . . . . 0.0 115.525 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.83 1.51 47.25 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.43 1.014 . . . . 0.0 114.979 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -81.87 165.06 21.15 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.647 1.579 . . . . 0.0 111.055 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' C' ' 14' ' ' TRP . 2.5 tm? -127.45 141.21 51.73 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.758 1.223 . . . . 0.0 111.295 169.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.419 ' HB3' ' CD1' ' C' ' 14' ' ' TRP . 6.8 t0 -66.72 138.23 57.25 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.384 0.674 . . . . 0.0 112.065 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -58.31 -28.37 64.97 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.894 -1.128 . . . . 0.0 113.552 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.22 -24.04 65.79 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.126 1.77 . . . . 0.0 114.808 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.601 ' HB2' HD11 ' C' ' 10' ' ' LEU . 2.1 m95 -103.45 -32.06 9.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.936 0.894 . . . . 0.0 112.731 176.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.01 -46.1 68.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.419 1.487 . . . . 0.0 109.892 170.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -34.82 78.83 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.224 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' C' ' 14' ' ' TRP . 65.6 mt -69.14 -48.05 63.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.881 1.273 . . . . 0.0 111.985 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.18 -41.57 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 O-C-N 121.723 -0.611 . . . . 0.0 112.169 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -63.67 -39.68 94.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.734 1.213 . . . . 0.0 112.987 174.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -61.12 -40.62 94.48 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.751 1.22 . . . . 0.0 113.098 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.6 -48.28 75.51 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.477 -0.764 . . . . 0.0 111.665 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 6.3 mmm -57.37 -44.98 84.85 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.709 0.403 . . . . 0.0 111.999 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 44.2 p -77.73 -30.76 51.82 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 3.6 t -84.83 7.86 19.34 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.88 22.16 78.41 Favored Glycine 0 CA--C 1.535 1.331 0 O-C-N 121.072 -1.017 . . . . 0.0 114.906 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . 0.474 HG13 ' CB ' ' D' ' 38' ' ' GLN . 25.0 t -66.46 147.04 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.306 1.443 . . . . 0.0 111.071 175.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 68.3 m -58.19 111.58 1.25 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.971 0.908 . . . . 0.0 112.405 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -62.27 -31.1 71.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.491 1.117 . . . . 0.0 113.341 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -69.28 -37.06 77.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.092 0.957 . . . . 0.0 113.358 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -63.1 -29.38 70.75 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.157 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.91 -49.1 76.62 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 119.233 0.924 . . . . 0.0 111.406 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -64.91 -47.01 79.3 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 171.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.02 -37.26 87.04 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -30.29 56.93 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.699 1.136 . . . . 0.0 112.079 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -50.94 65.7 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.509 -0.744 . . . . 0.0 109.772 165.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -62.69 -44.62 95.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.002 0.921 . . . . 0.0 111.955 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -52.98 -48.17 67.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.415 1.486 . . . . 0.0 112.113 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' GLN . . . . . 0.438 ' CB ' HG13 ' D' ' 26' ' ' VAL . 86.8 mm-40 -73.02 -43.13 62.47 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.662 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -54.61 -40.43 68.89 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.971 1.26 . . . . 0.0 111.516 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -54.06 -29.75 45.42 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.141 2.576 . . . . 0.0 113.728 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -116.89 -38.87 3.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.114 1.365 . . . . 0.0 113.874 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -74.22 -26.0 59.99 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.182 1.393 . . . . 0.0 113.184 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -131.43 -28.86 1.83 Allowed 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.83 64.16 1.49 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.924 1.69 . . . . 0.0 111.932 175.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -59.8 -35.66 75.13 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.81 1.244 . . . . 0.0 113.717 -166.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 58.23 27.12 14.71 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.202 1.801 . . . . 0.0 114.7 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.952 2.101 . . . . 0.0 112.176 -178.075 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -71.09 163.42 27.64 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.701 1.2 . . . . 0.0 113.115 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -148.63 166.95 26.78 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.309 1.444 . . . . 0.0 111.447 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -61.63 147.2 46.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.97 1.308 . . . . 0.0 112.906 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -139.15 151.02 46.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.041 1.736 . . . . 0.0 110.814 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -128.9 166.57 18.85 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.645 1.578 . . . . 0.0 112.217 -172.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 -118.16 13.88 13.86 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.462 1.905 . . . . 0.0 113.618 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.06 -24.53 6.29 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 126.269 1.89 . . . . 0.0 113.404 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 147.47 37.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.855 1.262 . . . . 0.0 111.664 169.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' D' ' 14' ' ' TRP . 2.9 tm? -125.03 138.52 54.21 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.416 1.086 . . . . 0.0 110.653 162.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 7.1 t0 -63.85 135.93 56.98 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.926 0.89 . . . . 0.0 112.187 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 46.8 t -56.55 -29.38 61.9 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.88 -1.138 . . . . 0.0 112.614 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -64.18 -22.99 67.15 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' TRP . . . . . 0.584 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.0 m95 -106.54 -31.82 8.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.354 1.062 . . . . 0.0 112.761 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -51.93 -45.54 64.35 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.404 1.481 . . . . 0.0 110.041 168.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -36.19 82.81 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.325 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.87 -48.29 66.5 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.852 1.261 . . . . 0.0 111.79 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.403 HG22 HD21 ' C' ' 10' ' ' LEU . 8.7 p -66.56 -41.32 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.859 -0.526 . . . . 0.0 112.219 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -64.37 -39.4 93.8 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.975 -1.078 . . . . 0.0 112.981 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -59.61 -41.29 90.02 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.962 1.305 . . . . 0.0 112.594 170.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.57 73.96 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.627 -0.671 . . . . 0.0 112.148 174.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 5.3 mmm -58.55 -40.08 82.02 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.932 0.493 . . . . 0.0 112.107 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 41.4 p -79.94 -32.76 40.03 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -83.07 7.96 14.33 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.68 21.92 79.33 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 120.991 -1.068 . . . . 0.0 114.649 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . 0.438 HG13 ' CB ' ' C' ' 38' ' ' GLN . 19.9 t -64.27 146.81 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.921 1.289 . . . . 0.0 111.126 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 71.8 m -56.82 112.34 1.28 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.306 1.042 . . . . 0.0 111.738 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -64.07 -26.89 68.75 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -70.74 -37.56 73.48 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.631 0.772 . . . . 0.0 112.639 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -59.56 -28.17 66.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.976 0.807 . . . . 0.0 112.832 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.81 -57.36 11.88 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.752 -0.642 . . . . 0.0 111.336 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -63.85 -45.1 91.01 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.37 -41.24 96.82 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.528 0.604 . . . . 0.0 111.74 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -73.23 -36.78 66.52 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.201 0.6 . . . . 0.0 112.298 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -52.79 59.67 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.122 0.569 . . . . 0.0 110.401 171.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -63.25 -41.15 99.03 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 118.634 -0.698 . . . . 0.0 111.52 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -56.57 -44.68 81.22 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.013 0.925 . . . . 0.0 112.768 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' GLN . . . . . 0.474 ' CB ' HG13 ' C' ' 26' ' ' VAL . 92.5 mm-40 -72.38 -40.99 66.84 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.121 -0.987 . . . . 0.0 112.723 173.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -55.77 -41.94 74.78 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.876 1.216 . . . . 0.0 110.815 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -54.1 -31.29 51.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 128.029 2.532 . . . . 0.0 113.327 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -107.77 -42.04 4.84 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.908 1.683 . . . . 0.0 113.869 -175.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -82.46 -28.81 31.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.191 1.796 . . . . 0.0 113.218 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -122.15 -33.64 3.47 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.864 1.266 . . . . 0.0 112.884 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.0 32.79 19.89 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.924 1.69 . . . . 0.0 113.592 173.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -62.71 -29.08 70.39 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.528 1.131 . . . . 0.0 111.893 168.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -73.96 59.9 0.73 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 128.592 2.757 . . . . 0.0 111.832 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.905 1.682 . . . . 0.0 113.801 178.452 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.481 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -65.85 148.95 50.97 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.506 1.122 . . . . 0.0 113.205 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -68.35 146.0 53.66 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.222 1.009 . . . . 0.0 111.79 175.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.2 157.05 32.39 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.692 1.197 . . . . 0.0 112.488 174.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.57 -35.82 82.22 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -129.91 143.21 50.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.739 2.016 . . . . 0.0 111.61 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -91.51 46.76 1.31 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.418 1.487 . . . . 0.0 111.868 171.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.12 -4.81 69.33 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.797 1.189 . . . . 0.0 115.816 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -76.71 162.32 27.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.46 1.504 . . . . 0.0 111.717 171.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 14' ' ' TRP . 2.5 tm? -129.38 141.85 50.96 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.173 1.389 . . . . 0.0 111.795 168.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.425 ' HB3' ' CD1' ' A' ' 14' ' ' TRP . 7.4 t0 -68.0 138.37 55.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.802 0.841 . . . . 0.0 112.444 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.8 t -55.93 -30.24 61.34 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.879 -1.138 . . . . 0.0 112.868 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -63.43 -25.44 68.28 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.592 ' HB2' HD11 ' A' ' 10' ' ' LEU . 2.3 m95 -105.29 -30.05 9.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.463 1.105 . . . . 0.0 112.209 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -53.35 -49.05 67.93 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.602 1.161 . . . . 0.0 109.155 169.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -36.15 79.83 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.838 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.49 -48.07 71.01 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.151 1.381 . . . . 0.0 111.959 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.636 HG22 HD21 ' B' ' 10' ' ' LEU . 14.5 p -66.89 -43.01 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.604 ' HG2' HD23 ' B' ' 10' ' ' LEU . 12.7 mtm105 -62.89 -41.66 99.5 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.51 -0.744 . . . . 0.0 110.024 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.07 -40.93 82.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.489 1.116 . . . . 0.0 113.207 171.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.7 91.04 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.454 1.024 . . . . 0.0 111.086 177.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mmm -64.66 -42.2 95.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.8 p -81.46 -34.0 31.68 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 t -84.92 8.23 18.29 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.09 18.96 78.2 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.489 1.042 . . . . 0.0 115.072 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.34 150.33 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.787 1.635 . . . . 0.0 111.699 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.8 m -57.62 101.55 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.723 1.209 . . . . 0.0 112.909 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -61.99 -28.87 69.87 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.969 1.307 . . . . 0.0 113.37 -177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -66.35 -34.93 79.08 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.118 1.367 . . . . 0.0 114.431 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -63.71 -31.86 73.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.144 0.429 . . . . 0.0 111.867 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -57.64 11.47 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.443 0.565 . . . . 0.0 110.868 177.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.49 -50.77 68.36 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.874 0.869 . . . . 0.0 113.103 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -62.27 -44.74 95.83 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 119.252 -0.404 . . . . 0.0 111.319 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -68.34 -32.53 72.7 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.21 0.914 . . . . 0.0 112.311 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' B' ' 21' ' ' ALA . 0.2 OUTLIER -56.4 -56.42 21.35 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.542 0.737 . . . . 0.0 111.645 172.269 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.89 -32.35 69.3 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.738 0.415 . . . . 0.0 112.014 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -56.74 -52.04 66.51 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.218 1.007 . . . . 0.0 112.599 167.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -65.76 -39.46 91.08 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.19 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -55.29 -49.94 70.83 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 120.052 1.296 . . . . 0.0 110.024 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -78.04 -0.99 30.11 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -46.03 4.22 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.863 1.665 . . . . 0.0 112.136 168.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.97 -48.46 13.33 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.32 2.248 . . . . 0.0 113.269 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -97.58 -36.42 10.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.141 0.976 . . . . 0.0 112.265 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.11 33.36 23.09 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.117 1.367 . . . . 0.0 112.383 -177.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -64.76 136.68 57.19 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.769 1.627 . . . . 0.0 112.86 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -78.76 -16.34 57.31 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.109 2.164 . . . . 0.0 111.978 179.729 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -66.16 151.74 46.3 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.577 1.151 . . . . 0.0 113.305 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.9 162.81 28.65 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.551 1.14 . . . . 0.0 112.971 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -148.3 155.26 41.09 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.717 1.607 . . . . 0.0 111.877 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.91 -12.04 59.76 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -153.69 143.52 21.91 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.842 1.257 . . . . 0.0 112.306 -176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -140.26 11.37 2.36 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.787 1.235 . . . . 0.0 114.225 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.79 -33.15 5.34 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 126.24 1.876 . . . . 0.0 113.267 -173.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.88 129.25 34.35 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.704 1.201 . . . . 0.0 111.774 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.636 HD21 HG22 ' A' ' 18' ' ' VAL . 1.4 tm? -73.8 125.82 28.99 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.213 0.53 . . . . 0.0 111.11 171.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -64.98 132.34 49.0 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.966 0.906 . . . . 0.0 110.864 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -58.81 -24.69 62.28 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.923 -1.111 . . . . 0.0 113.333 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.31 -28.12 68.98 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.619 1.968 . . . . 0.0 114.682 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.549 ' HB2' HD11 ' B' ' 10' ' ' LEU . 3.7 m95 -98.64 -32.58 11.34 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.404 1.002 . . . . 0.0 112.671 177.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -55.02 -46.9 75.28 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.25 1.42 . . . . 0.0 110.303 171.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -31.69 73.0 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 118.486 -0.769 . . . . 0.0 112.824 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' B' ' 14' ' ' TRP . 56.3 mt -70.63 -50.01 41.41 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.584 1.154 . . . . 0.0 111.789 176.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.42 -40.82 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.823 -0.548 . . . . 0.0 111.739 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -65.35 -37.76 88.02 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.178 -0.951 . . . . 0.0 112.418 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.93 -41.02 81.84 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.675 0.79 . . . . 0.0 111.948 168.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 35' ' ' LEU . . . -68.2 -44.53 75.63 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.927 1.24 . . . . 0.0 111.574 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 8.6 mmm -62.02 -40.81 96.97 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 76.1 p -84.18 -30.74 25.56 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -88.31 7.98 29.67 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.19 24.17 72.05 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.214 0.911 . . . . 0.0 114.91 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.0 t -74.61 153.79 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.512 1.525 . . . . 0.0 112.098 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 46.2 m -65.54 89.93 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.636 1.174 . . . . 0.0 112.866 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -23.24 66.8 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -62.58 -37.77 87.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.167 0.987 . . . . 0.0 113.317 168.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -64.53 -35.02 79.6 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 119.17 -0.443 . . . . 0.0 111.036 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -49.61 75.76 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.758 0.708 . . . . 0.0 111.493 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.07 -52.24 56.79 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -62.88 -42.32 99.73 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 117.603 0.183 . . . . 0.0 111.35 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -69.34 -32.66 71.88 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.333 1.053 . . . . 0.0 112.46 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -56.73 17.63 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.947 0.794 . . . . 0.0 110.452 171.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -67.81 -33.79 75.47 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.07 0.548 . . . . 0.0 112.027 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -56.93 -54.47 46.2 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.041 0.936 . . . . 0.0 112.733 167.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -65.15 -37.58 87.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.299 0.954 . . . . 0.0 112.194 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -56.21 -49.97 72.58 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.921 1.237 . . . . 0.0 110.693 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -77.19 -2.1 32.81 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -47.47 4.48 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.844 1.657 . . . . 0.0 112.207 170.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.46 -56.49 4.58 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.531 1.933 . . . . 0.0 112.561 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.3 t -91.11 -34.48 15.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.036 0.934 . . . . 0.0 112.195 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.0 35.97 25.71 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.68 1.192 . . . . 0.0 111.881 176.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -71.83 -35.12 69.81 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 -163.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 54.27 36.99 26.48 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.009 1.324 . . . . 0.0 114.533 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.571 1.548 . . . . 0.0 113.676 176.095 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -74.27 -18.75 60.68 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -69.65 153.17 43.81 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.436 1.094 . . . . 0.0 113.091 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -68.27 147.74 51.77 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.92 1.288 . . . . 0.0 112.743 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -84.61 -7.43 59.25 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -148.89 142.23 25.16 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.77 1.628 . . . . 0.0 110.83 -173.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -146.41 59.54 1.22 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.205 1.002 . . . . 0.0 112.206 -173.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.56 18.41 73.73 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.314 0.959 . . . . 0.0 115.274 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -148.26 125.98 11.85 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.464 1.506 . . . . 0.0 110.936 -171.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' LEU . . . . . 0.722 HD21 HG22 ' D' ' 18' ' ' VAL . 1.1 tm? -72.87 130.68 40.96 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.448 0.642 . . . . 0.0 111.457 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -69.0 132.33 46.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.031 0.932 . . . . 0.0 110.623 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 18.5 m -57.82 -24.85 59.31 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.934 -1.104 . . . . 0.0 113.534 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.96 -27.12 69.18 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.196 1.798 . . . . 0.0 114.745 173.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.538 ' HB2' HD11 ' C' ' 10' ' ' LEU . 3.0 m95 -98.46 -32.41 11.5 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.02 0.928 . . . . 0.0 112.738 176.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -54.21 -47.44 72.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.726 1.21 . . . . 0.0 110.072 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -33.14 75.19 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.187 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' C' ' 14' ' ' TRP . 67.4 mt -69.54 -47.42 63.76 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.108 1.363 . . . . 0.0 111.934 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.483 HG22 HD21 ' D' ' 10' ' ' LEU . 14.8 p -67.02 -40.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.79 -0.569 . . . . 0.0 112.033 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.415 ' HG2' HD23 ' D' ' 10' ' ' LEU . 32.9 mtm105 -60.55 -43.89 96.73 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.305 -0.872 . . . . 0.0 111.288 171.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.81 -38.66 75.94 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.062 0.945 . . . . 0.0 112.931 172.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.8 80.95 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.111 -0.993 . . . . 0.0 111.137 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 2.4 mmm -62.05 -35.82 79.77 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 82.4 p -89.07 -32.7 17.43 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.725 1.379 . . . . 0.0 114.725 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -85.59 8.36 19.72 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.9 19.69 79.81 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.498 1.047 . . . . 0.0 114.684 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . 0.459 HG13 ' CB ' ' D' ' 38' ' ' GLN . 32.3 t -67.12 147.11 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 126.041 1.736 . . . . 0.0 111.588 -178.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 58.9 m -58.92 111.76 1.41 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.996 0.918 . . . . 0.0 112.123 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -65.93 -31.67 72.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.347 0.659 . . . . 0.0 112.546 -174.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -65.77 -37.33 86.05 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.821 0.848 . . . . 0.0 113.18 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -62.77 -29.24 70.54 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -55.94 27.87 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.163 0.892 . . . . 0.0 110.904 173.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -65.14 -49.8 68.48 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.535 0.734 . . . . 0.0 112.818 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -65.69 -37.15 85.66 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -73.43 -32.32 64.33 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.567 1.076 . . . . 0.0 112.229 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -54.67 40.58 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.625 -0.672 . . . . 0.0 110.173 167.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -60.36 -38.19 83.05 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.572 -0.727 . . . . 0.0 111.78 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -59.87 -49.77 76.4 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.1 1.36 . . . . 0.0 113.36 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' GLN . . . . . 0.413 ' CB ' HG13 ' D' ' 26' ' ' VAL . 83.4 mm-40 -70.53 -40.66 73.32 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.167 -0.958 . . . . 0.0 111.786 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -53.78 -39.24 65.26 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.288 1.035 . . . . 0.0 111.249 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -53.76 -25.44 18.88 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 128.603 2.761 . . . . 0.0 114.494 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -126.54 -36.45 2.26 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.045 1.338 . . . . 0.0 113.007 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -39.65 81.28 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.755 0.822 . . . . 0.0 112.492 170.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -127.81 -22.85 3.48 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -172.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.46 29.16 17.09 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.16 1.784 . . . . 0.0 114.515 170.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.42 46.71 0.35 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.907 1.683 . . . . 0.0 113.979 176.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -67.72 -24.44 65.37 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.63 1.972 . . . . 0.0 113.476 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.69 1.996 . . . . 0.0 112.77 177.513 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -71.76 159.46 34.3 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.622 1.169 . . . . 0.0 112.92 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.23 136.44 56.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.934 0.894 . . . . 0.0 111.67 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' MET . . . . . . . . . . . . . 29.7 tpp -134.44 -4.62 2.62 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -169.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -79.09 171.85 14.62 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.149 -0.969 . . . . 0.0 112.31 175.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -67.69 150.61 48.5 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 122.022 0.915 . . . . 0.0 112.693 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -140.15 17.29 2.44 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.358 1.863 . . . . 0.0 112.614 -174.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.37 -21.79 5.39 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 126.171 1.843 . . . . 0.0 112.953 -168.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -57.28 147.15 26.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.151 1.38 . . . . 0.0 112.081 166.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' D' ' 14' ' ' TRP . 3.1 tm? -147.04 134.02 20.28 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.481 1.112 . . . . 0.0 110.279 160.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.416 ' HB3' ' CD1' ' D' ' 14' ' ' TRP . 8.4 t0 -61.08 139.27 58.12 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.42 0.629 . . . . 0.0 112.357 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -56.33 -28.65 59.66 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.041 -1.037 . . . . 0.0 113.602 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.03 -25.5 67.09 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.008 1.723 . . . . 0.0 115.051 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' TRP . . . . . 0.582 ' HB2' HD11 ' D' ' 10' ' ' LEU . 2.7 m95 -102.47 -32.06 10.15 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.1 0.96 . . . . 0.0 112.184 177.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.26 -47.88 71.79 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.415 1.486 . . . . 0.0 110.347 170.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -36.16 79.84 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 118.874 -0.584 . . . . 0.0 112.1 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' D' ' 14' ' ' TRP . 68.0 mt -68.34 -48.03 65.93 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.963 1.305 . . . . 0.0 112.227 178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.722 HG22 HD21 ' C' ' 10' ' ' LEU . 9.4 p -65.52 -41.69 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.751 -0.593 . . . . 0.0 112.323 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.667 ' HG2' HD23 ' C' ' 10' ' ' LEU . 76.9 mtm180 -64.85 -39.96 94.38 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.519 -0.738 . . . . 0.0 110.554 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.04 -40.32 80.61 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.52 1.128 . . . . 0.0 113.01 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.35 89.46 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.995 0.816 . . . . 0.0 110.976 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mmm -62.23 -40.78 97.28 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p -80.38 -32.07 37.68 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 4.0 t -83.42 7.3 17.24 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.74 18.09 75.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.59 1.09 . . . . 0.0 114.434 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . 0.413 HG13 ' CB ' ' C' ' 38' ' ' GLN . 41.4 t -64.93 145.49 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.542 1.537 . . . . 0.0 111.203 -177.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 43.6 m -56.82 106.55 0.31 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.671 1.189 . . . . 0.0 112.42 -174.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -64.51 -27.94 69.32 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -66.64 -37.42 84.79 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.841 0.856 . . . . 0.0 113.141 172.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.86 -29.01 70.25 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.894 -0.574 . . . . 0.0 112.383 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -55.89 27.27 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.235 0.925 . . . . 0.0 110.897 172.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ARG . . . . . 0.421 ' HA ' HD22 ' C' ' 17' ' ' LEU . 4.1 tpt180 -65.81 -49.4 68.4 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.621 0.769 . . . . 0.0 112.927 178.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -67.26 -35.93 80.53 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -74.74 -31.41 61.8 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.603 1.092 . . . . 0.0 112.126 174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -52.51 61.63 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.51 -0.744 . . . . 0.0 110.049 166.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.77 -40.24 91.79 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.307 -0.854 . . . . 0.0 112.002 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -59.71 -45.27 92.64 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.078 1.351 . . . . 0.0 113.746 176.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' GLN . . . . . 0.459 ' CB ' HG13 ' C' ' 26' ' ' VAL . 94.7 mm-40 -71.17 -45.16 64.06 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.301 -0.874 . . . . 0.0 111.276 175.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -53.29 -36.3 61.06 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.295 173.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -53.99 -25.12 19.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 129.73 3.212 . . . . 0.0 114.787 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -126.36 -38.94 2.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.642 1.577 . . . . 0.0 112.696 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -35.45 81.06 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.131 0.972 . . . . 0.0 112.092 175.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -129.64 -24.05 2.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.95 19.59 11.82 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.936 1.694 . . . . 0.0 113.963 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -74.91 -29.48 60.98 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.506 1.523 . . . . 0.0 114.617 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 61.18 5.17 1.01 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 127.173 2.189 . . . . 0.0 116.096 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 . . . . . 0 N--CA 1.481 1.1 0 C-N-CA 127.521 2.328 . . . . 0.0 111.639 175.244 . . . . . . . . 0 0 . 1 stop_ save_